SCHEMBL8936587

SCHEMBL8936587

COc1ccccc1CNC(=O)Nc1c(-c2ccc(F)cc2)c2cc(C)c(C)cc2c(=O)n1C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.64
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8936535 0.94 TACR1 (0.73) TACR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL8936542 0.86 TACR1 (0.86) TACR1ALDH1A1KMT2A
SCHEMBL8936580 0.83 TACR1 (0.80) TACR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL8936463 0.80 TACR1 (0.76) TACR1ALDH1A1
SCHEMBL8936460 0.80 TACR1 (0.76) TACR1MEN1ALDH1A1KMT2A
SCHEMBL8936599 0.80 TACR1 (0.76) TACR1ALDH1A1
SCHEMBL8936574 0.79 TACR1 (0.83) TACR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL8936576 0.78 TACR1 (1.00) TACR1MEN1ALDH1A1KMT2AADORA3
SCHEMBL8785417 0.78 TACR1 (0.81) TACR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL8936555 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