SCHEMBL8101033

SCHEMBL8101033

CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccco1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.78

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 0.86 TACR1 (0.82) TACR1
SCHEMBL8109904 0.86 TACR1 (0.82) TACR1
SCHEMBL29870363 0.85 TACR1 (1.00) TACR1
SCHEMBL2139814 0.85 TACR1 (1.00) TACR1
SCHEMBL7847110 0.85 TACR1 (1.00) TACR1
SCHEMBL6827800 0.85 TACR1 (1.00) TACR1
SCHEMBL2139820 0.85 TACR1 (0.77) TACR1
SCHEMBL7112396 0.85 TACR1 (0.77) TACR1
SCHEMBL8189881 0.85 TACR1 (0.78) TACR1
SCHEMBL8189878 0.85 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655055-B1 TACHYKININ ANTAGONISTS WARNER LAMBERT CO (US) 2000-11-29 EP 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