SCHEMBL6879192

SCHEMBL6879192

COc1ccc(Br)c(C(=O)NC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.52
▸ MCHR1 Q99705 5/20 0.51
▸ ADRA2A P08913 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GPR6 P46095 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ F2RL1 P55085 1/20 0.44

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
SCHEMBL6879187 1.00 KLK7 (0.52) KLK7MCHR1ADRA2AMAPTTSHR
SCHEMBL6465599 0.85 MCHR1 (0.61) KLK7MCHR1ADRA2AMAPTTSHR
SCHEMBL6465595 0.85 MCHR1 (0.61) KLK7MCHR1ADRA2AMAPTTSHR
SCHEMBL6467597 0.84 MCHR1 (0.70) KLK7MCHR1ADRA2AMAPTMEN1
SCHEMBL6467582 0.84 MCHR1 (0.70) KLK7MCHR1ADRA2AMAPTMEN1
SCHEMBL13794161 0.84 MCHR1 (0.73) KLK7MCHR1ADRA2ATSHRMAPK1
SCHEMBL27631432 0.82 MCHR1 (0.48) MCHR1ADRA2AMAPK1SMN1; SMN2
SCHEMBL6877534 0.81 MCHR1 (0.53) MCHR1ADRA2AMAPTRAB9ARXFP1
SCHEMBL6877538 0.81 MCHR1 (0.53) MCHR1ADRA2AMAPTRAB9ARXFP1
SCHEMBL6455698 0.81 MCHR1 (0.49) KLK7MCHR1ADRA2AMAPTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP disclosed
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