SCHEMBL6950573

SCHEMBL6950573

O=C1CCC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CN1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.39
TACR2 P21452 4/20 0.38
SLC6A3 Q01959 11/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A2 P23975 8/20 0.38
CYP2D6 P10635 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7766689 0.95 SLC6A3 (0.39) TACR1TACR2SLC6A3SLC6A4SLC6A2
SCHEMBL7764201 0.94 TACR1 (0.40) TACR1TACR2SLC6A3SLC6A4SLC6A2
SCHEMBL3466870 0.92 SLC6A4 (0.36) TACR1TACR2SLC6A3SLC6A4SLC6A2
SCHEMBL7765670 0.90 SLC6A3 (0.39) TACR1TACR2SLC6A3SLC6A4SLC6A2
SCHEMBL6544366 0.90 SLC6A3 (0.38) TACR1TACR2SLC6A3SLC6A4SLC6A2
SCHEMBL5203734 0.86 MEN1 (0.34)
SCHEMBL7765696 0.86 L3MBTL1 (0.35) SLC6A3SLC6A4SLC6A2
SCHEMBL4630125 0.85 SLC6A3 (0.37) TACR1TACR2SLC6A3SLC6A4SLC6A2
SCHEMBL7956526 0.85 MEN1 (0.38) TACR1TACR2SLC6A3SLC6A4SLC6A2
SCHEMBL6957304 0.84 SLC6A2 (0.50) SLC6A3SLC6A4SLC6A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871623-B1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RES & DEV (IE) 2003-02-12 EP disclosed
US-6242438-B1 3-Azetidinylalkylpiperidines or -pyrrolidines as tachykinin antagonists PFIZER INC. 2001-06-05 US disclosed
EP-1101757-A1 Heterocyclic compounds as tachykinin receptor antagonists SANOFI-SYNTHELABO (FR) 2001-05-23 EP disclosed
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
US-5965580-A TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS SANOFI (FR) 1999-10-12 US disclosed
US-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 US disclosed
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP disclosed
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
US-5859029-A TREATING SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1999-01-12 US disclosed
US-5625060-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions on which they are present Sanofi, Elf (FR) 1997-04-29 US disclosed
US-5583134-A QUATERNARY BASIC AMIDE DERIVATIVES; USEFUL FOR TREATING PATHOLOGICAL CONDITION INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1996-12-10 US disclosed
US-5554763-A TACHYKININ ANTAGONISTS SANOFI (FR) 1996-09-10 US disclosed
EP-0723959-A1 Heterocyclic compounds as tachykinin receptor antagonists, process for their preparation and pharmaceuticals containing them SANOFI (FR) 1996-07-31 EP disclosed
EP-0700387-A1 SALTS OF SUBSTITUTED HETEROAROMATIC NITROGEN COMPOUNDS, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING SAME SANOFI (FR) 1996-03-13 EP disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed
WO-1995026339-A1 SALTS OF SUBSTITUTED HETEROAROMATIC NITROGEN COMPOUNDS, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING SAME SANOFI (FR) 1995-10-05 WO disclosed
US-5340822-A Substance P, neurokinin antagonists ELF SANOFI (FR) 1994-08-23 US disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed