SCHEMBL8821634

SCHEMBL8821634

Cc1cc(C)cc(C(=O)N2CC[C@H](NCCCc3cccc(Cl)c3)C[C@@H]2Cc2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.75
TACR3 P29371 2/20 0.58

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
SCHEMBL8821351 1.00 TACR1 (0.75) TACR1TACR3
SCHEMBL8821504 0.95 TACR1 (0.84) TACR1TACR3
SCHEMBL8821295 0.95 TACR1 (0.84) TACR1TACR3
SCHEMBL8821567 0.92 TACR1 (0.80) TACR1TACR3
SCHEMBL8821493 0.92 TACR1 (0.80) TACR1TACR3
SCHEMBL8821526 0.92 TACR1 (0.67) TACR1TACR3
SCHEMBL8924588 0.92 TACR1 (0.67) TACR1TACR3
SCHEMBL8821289 0.92 TACR1 (0.89) TACR1TACR3
SCHEMBL8821282 0.92 TACR1 (0.89) TACR1TACR3
SCHEMBL8821514 0.89 TACR1 (0.84) TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997045119-A1 USE OF SUBSTANCE P ANTAGONISTS FOR TREATING SOCIAL PHOBIA NOVARTIS AG (CH) 1997-12-04 WO claimed
US-5646144-A FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US claimed
EP-0532456-B1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA GEIGY AG (CH) 1995-03-29 EP claimed
EP-0532456-A1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA-GEIGY AG (CH) 1993-03-17 EP claimed
WO-1997045119-A1 USE OF SUBSTANCE P ANTAGONISTS FOR TREATING SOCIAL PHOBIA NOVARTIS AG (CH) 1997-12-04 WO disclosed
US-5646144-A FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5541195-A SUBSTANCE P ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-07-30 US disclosed
EP-0532456-B1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
US-5310743-A Substance P antagonist CIBA-GEIGY CORP. (US) 1994-05-10 US disclosed
EP-0532456-A1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed