SCHEMBL8936555

SCHEMBL8936555

COc1ccccc1CN(C)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C

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
SCHEMBL8936495 0.87 TACR1 (1.00) TACR1
SCHEMBL8936475 0.85 TACR1 (1.00) TACR1
SCHEMBL8786499 0.84 TACR1 (0.81) TACR1
SCHEMBL8936535 0.83 TACR1 (0.73) TACR1
SCHEMBL8936457 0.83 TACR1 (1.00) TACR1
SCHEMBL8936479 0.80 TACR1 (1.00) TACR1
SCHEMBL8785763 0.79 TACR1 (1.00) TACR1
SCHEMBL8936559 0.78 TACR1 (0.90) TACR1
SCHEMBL8936521 0.78 TACR1 (0.72) TACR1
SCHEMBL8936477 0.77 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 4 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
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP claimed
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