SCHEMBL8936604

SCHEMBL8936604

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

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.76
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL8936559 0.88 TACR1 (0.90) TACR1NPSR1
SCHEMBL8936475 0.87 TACR1 (1.00) TACR1
SCHEMBL8936548 0.85 TACR1 (1.00) TACR1
SCHEMBL8936479 0.81 TACR1 (1.00) TACR1
SCHEMBL8936457 0.80 TACR1 (1.00) TACR1
SCHEMBL8936521 0.79 TACR1 (0.72) TACR1
SCHEMBL8936576 0.78 TACR1 (1.00) TACR1MEN1KMT2A
SCHEMBL8936445 0.78 TACR1 (0.83) TACR1
SCHEMBL9573685 0.77 TACR1 (0.68) TACR1MEN1KMT2A
SCHEMBL8936495 0.77 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 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