SCHEMBL7765670

SCHEMBL7765670

O=C1CC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CN1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.39
SLC6A2 P23975 11/20 0.39
SLC6A4 P31645 11/20 0.39
TACR1 P25103 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
TACR2 P21452 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7956526 0.94 MEN1 (0.38) SLC6A3SLC6A2SLC6A4TACR1MEN1
SCHEMBL6950573 0.90 TACR1 (0.39) SLC6A3SLC6A2SLC6A4TACR1TACR2
SCHEMBL7766689 0.89 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4TACR1TACR2
SCHEMBL4630125 0.86 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4TACR1MEN1
SCHEMBL14144423 0.86 MEN1 (0.36) TACR1MEN1KMT2AKDM4CTACR2
SCHEMBL8291781 0.85 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4KDM4CCYP2D6
SCHEMBL8351327 0.85 KDM4C (0.44) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL7764201 0.85 TACR1 (0.40) SLC6A3SLC6A2SLC6A4TACR1MEN1
SCHEMBL6544366 0.84 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4TACR1MEN1
SCHEMBL4631674 0.82 SLC6A2 (0.37) SLC6A3SLC6A2SLC6A4MEN1KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5859029-A TREATING SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1999-01-12 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
US-5679693-A TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1997-10-21 US disclosed
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 EP disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
US-5656639-A POSSESS STRONG AFFINITY FOR NK1 RECEPTORS; USEFUL IN TREATMENT OF SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1997-08-12 US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 US disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 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-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 WO disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed