SCHEMBL8197931

SCHEMBL8197931

CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.61
TACR3 P29371 1/20 0.61

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
SCHEMBL8197932 1.00 TACR1 (0.61) TACR1TACR3
SCHEMBL7641918 0.88 TACR1 (0.75) TACR1TACR3
SCHEMBL8203051 0.88 TACR1 (0.75) TACR1TACR3
SCHEMBL8200376 0.88 TACR1 (0.75) TACR1TACR3
SCHEMBL8189867 0.85 TACR1 (0.75) TACR1TACR3
SCHEMBL8198649 0.82 TACR1 (0.77) TACR1TACR3
SCHEMBL8198646 0.82 TACR1 (0.77) TACR1TACR3
SCHEMBL8489807 0.81 TACR1 (0.53) TACR1TACR3
SCHEMBL10720085 0.79 TACR1 (0.58) TACR1TACR3
SCHEMBL7672156 0.79 TACR1 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP claimed
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP disclosed
US-5981755-A Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 1999-11-09 US disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO disclosed