SCHEMBL8203091

SCHEMBL8203091

CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1F)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL8198632 0.95 TACR1 (0.90) TACR1
SCHEMBL8197625 0.92 TACR1 (1.00) TACR1
SCHEMBL8197616 0.92 TACR1 (1.00) TACR1
SCHEMBL8198236 0.92 TACR1 (1.00) TACR1
SCHEMBL8203153 0.92 TACR1 (1.00) TACR1
SCHEMBL8483023 0.91 TACR1 (0.88) TACR1
SCHEMBL9387393 0.90 TACR1 (0.81) TACR1
SCHEMBL8203286 0.90 TACR1 (0.81) TACR1
SCHEMBL8189477 0.89 TACR1 (0.88) TACR1
SCHEMBL8189473 0.89 TACR1 (0.88) 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-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 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