SCHEMBL8936598

SCHEMBL8936598

Cc1cc2c(-c3ccccc3)c(NC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(C)c(=O)c2cc1C

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
SCHEMBL8936576 0.88 TACR1 (1.00) TACR1
SCHEMBL8936481 0.87 TACR1 (0.86) TACR1
SCHEMBL8936527 0.85 TACR1 (0.90) TACR1
SCHEMBL8788726 0.85 TACR1 (0.71) TACR1
SCHEMBL8936454 0.83 TACR1 (0.86) TACR1
SCHEMBL8936542 0.83 TACR1 (0.86) TACR1
SCHEMBL8936439 0.83 TACR1 (0.86) TACR1
SCHEMBL8936580 0.82 TACR1 (0.80) TACR1
SCHEMBL8936574 0.82 TACR1 (0.83) TACR1
SCHEMBL8936536 0.81 TACR1 (0.77) 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