SCHEMBL7817874

SCHEMBL7817874

O=C1CCC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.54

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
SCHEMBL8300796 0.95 TACR1 (0.59) TACR1
SCHEMBL7846541 0.90 TACR1 (0.60) TACR1
SCHEMBL7956549 0.87 TACR1 (0.49) TACR1
SCHEMBL8484370 0.83 TACR1 (0.50) TACR1
SCHEMBL4630790 0.82 TACR1 (0.44) TACR1
SCHEMBL8589071 0.82 TACR1 (0.52) TACR1
SCHEMBL7811978 0.82 TACR2 (0.62) TACR1
SCHEMBL8970672 0.81 TACR1 (0.47) TACR1
SCHEMBL7765734 0.79 TACR1 (0.40) TACR1
SCHEMBL8567221 0.79 TACR1 (0.51) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed