SCHEMBL8936432

SCHEMBL8936432

Cc1cc(F)ccc1-c1c(NC(=O)N(C)Cc2ccccc2)n(C)c(=O)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.74
TP53 P04637 1/20 0.41

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
SCHEMBL8936516 0.88 TACR1 (0.77) TACR1
SCHEMBL8936537 0.83 TACR1 (0.78) TACR1TP53
SCHEMBL8936488 0.81 TACR1 (0.75) TACR1TP53
SCHEMBL8936475 0.78 TACR1 (1.00) TACR1TP53
SCHEMBL8936477 0.78 TACR1 (0.77) TACR1TP53
SCHEMBL8936445 0.77 TACR1 (0.83) TACR1TP53
SCHEMBL8936556 0.74 TACR1 (0.53) TACR1
SCHEMBL8786244 0.74 TACR1 (0.50) TACR1
SCHEMBL8936525 0.74 TACR1 (0.79) TACR1
SCHEMBL8785292 0.73 TACR1 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523305-A ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-04 US disclosed
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed