SCHEMBL8109904

SCHEMBL8109904

CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccoc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.82

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
SCHEMBL8109903 1.00 TACR1 (0.82) TACR1
SCHEMBL7847280 0.87 TACR1 (0.90) TACR1
SCHEMBL7918704 0.87 TACR1 (1.00) TACR1
SCHEMBL29371285 0.87 TACR1 (1.00) TACR1
SCHEMBL7918701 0.87 TACR1 (1.00) TACR1
SCHEMBL8189477 0.87 TACR1 (0.88) TACR1
SCHEMBL9275375 0.87 TACR1 (1.00) TACR1
SCHEMBL9275371 0.87 TACR1 (1.00) TACR1
SCHEMBL8189473 0.87 TACR1 (0.88) TACR1
SCHEMBL8101033 0.86 TACR1 (0.78) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655055-B1 TACHYKININ ANTAGONISTS WARNER LAMBERT CO (US) 2000-11-29 EP claimed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP claimed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO claimed
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