SCHEMBL8926685

SCHEMBL8926685

Cc1cc(C)cc(C(=O)N2CC[C@H](N)C[C@H]2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.59
TACR3 P29371 2/20 0.47

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
SCHEMBL8926681 1.00 TACR1 (0.59) TACR1TACR3
SCHEMBL8924649 0.89 TACR1 (0.58) TACR1TACR3
SCHEMBL8924656 0.89 TACR1 (0.58) TACR1TACR3
SCHEMBL8502429 0.89 TACR1 (0.71) TACR1TACR3
SCHEMBL8923727 0.89 TACR1 (0.71) TACR1TACR3
SCHEMBL7862639 0.89 TACR1 (0.71) TACR1TACR3
SCHEMBL8923736 0.89 TACR1 (0.71) TACR1TACR3
SCHEMBL7862635 0.89 TACR1 (0.71) TACR1TACR3
SCHEMBL8925793 0.89 TACR1 (0.71) TACR1TACR3
SCHEMBL8300981 0.84 TACR1 (0.81) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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