SCHEMBL8925895

SCHEMBL8925895

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](NCCc2ccc(Cl)cc2)C[C@@H]1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.71
TACR3 P29371 2/20 0.61
RHOC P08134 1/20 0.50
RHOA P61586 1/20 0.50

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
SCHEMBL8821427 1.00 TACR1 (0.71) TACR1TACR3RHOCRHOA
SCHEMBL8821525 0.95 TACR1 (0.69) TACR1TACR3
SCHEMBL8821711 0.95 TACR1 (0.69) TACR1TACR3
SCHEMBL8821324 0.95 TACR1 (0.78) TACR1TACR3
SCHEMBL8821328 0.95 TACR1 (0.78) TACR1TACR3
SCHEMBL8821540 0.92 TACR1 (0.70) TACR1TACR3
SCHEMBL8924197 0.92 TACR1 (0.70) TACR1TACR3
SCHEMBL8924388 0.91 TACR1 (0.73) TACR1TACR3
SCHEMBL8821562 0.91 TACR1 (0.73) TACR1TACR3
SCHEMBL8821641 0.89 TACR1 (0.74) 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 8 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 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
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