SCHEMBL6220065

SCHEMBL6220065

COc1ccc(Br)cc1CCc1sccc1C(=O)N=C(N)SC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK8 P45983 2/20 0.37
▸ SLC9A1 P19634 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6222230 0.81 MC4R (0.60) MC4RKCNH2ALDH1A1GAAMAPT
SCHEMBL3090264 0.81 MC4R (0.52) MC4RKCNH2ALDH1A1GAAMAPT
SCHEMBL3072124 0.80 MC4R (0.60) MC4RKCNH2ALDH1A1GAAMAPT
SCHEMBL6222542 0.78 MC4R (0.64) MC4RKCNH2
SCHEMBL3085659 0.78 MC4R (0.55) MC4RKCNH2ALDH1A1GAAMAPT
SCHEMBL3089929 0.74 MC4R (0.67) MC4RKCNH2
SCHEMBL3095645 0.74 MC4R (0.68) MC4R
SCHEMBL3084386 0.74 MC4R (0.61) MC4RKCNH2
SCHEMBL3082228 0.72 MC4R (0.75) MC4R
SCHEMBL3095821 0.71 MC4R (0.70) MC4RALDH1A1KDM4E

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
EP-1590338-A2 MODULATORS OF MELANOCORTIN RECEPTOR Gene Logic Inc. (US) 2005-11-02 — — EP disclosed
WO-2004050610-A2 MODULATORS OF MELANOCORTIN RECEPTOR GENE LOGIC INC. (US) 2004-06-17 — — WO disclosed
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