SCHEMBL8936475

SCHEMBL8936475

Cc1cc2c(-c3ccccc3)c(NC(=O)N(C)Cc3ccccc3)n(C)c(=O)c2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 1.00
TP53 P04637 1/20 0.43

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
SCHEMBL8936457 0.93 TACR1 (1.00) TACR1
SCHEMBL8936445 0.91 TACR1 (0.83) TACR1TP53
SCHEMBL8936559 0.90 TACR1 (0.90) TACR1
SCHEMBL8936479 0.90 TACR1 (1.00) TACR1
SCHEMBL8936548 0.88 TACR1 (1.00) TACR1TP53
SCHEMBL8936477 0.87 TACR1 (0.77) TACR1TP53
SCHEMBL8936495 0.87 TACR1 (1.00) TACR1
SCHEMBL8936604 0.87 TACR1 (0.76) TACR1
SCHEMBL8936525 0.87 TACR1 (0.79) TACR1
SCHEMBL8936555 0.85 TACR1 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523305-A ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-04 US claimed
JP-6321906-A None JP disclosed
US-5541174-A COORDINATION COMPOUND OF COPPER AND AN AMINO ACID SORENSON JOHN R J (US) 1996-07-30 US disclosed
US-5523305-A ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-04 US disclosed
US-5521171-A COPPER COMPLEX WITH HETEROCYCLIC CARBOXYLIC ACID SORENSON JOHN R J (US) 1996-05-28 US disclosed
JP-H06321906-A TACHYKININ RECEPTOR-ANTAGONIZING AGENT, HETEROCYCLIC COMPOUND AND ITS PRODUCTION TAKEDA CHEM IND LTD 1994-11-22 JP disclosed
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed