SCHEMBL18831147

SCHEMBL18831147

CNCc1ccnc(CNCCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.44
▸ MC5R P33032 2/20 0.44
▸ MC3R P41968 1/20 0.44
▸ CHRM2 P08172 1/20 0.41
▸ SIRT2 Q8IXJ6 4/20 0.38
▸ FERMT2 Q96AC1 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ PRMT6 Q96LA8 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ROCK1 Q13464 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ EP300 Q09472 1/20 0.33

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
SCHEMBL18860206 0.88 CHRM2 (0.42) CHRM2SIRT2SCN8APRMT6HRH3
SCHEMBL10483857 0.81 CHRM2 (0.42) MC4RMC5RMC3RCHRM2SIRT2
SCHEMBL19147944 0.80 SIGMAR1 (0.39) MC4RMC5RMC3RCHRM2SIRT2
SCHEMBL18880300 0.79 CHRM2 (0.42) CHRM2SIRT2KDM4E
SCHEMBL18880283 0.79 PRMT6 (0.42) PRMT6HRH3EPHX2ALOX15KDM4E
SCHEMBL10483909 0.78 MC4R (0.50) MC4RMC5RMC3RCHRM2SCN8A
SCHEMBL23428545 0.77 CHRM2 (0.45) CHRM2SIRT2FERMT2SCN8AMAOB
SCHEMBL16006938 0.75 SIGMAR1 (0.54) SIRT2KDM4E
SCHEMBL10483900 0.75 LOXL2 (0.56) MC4RMC5RMC3RCHRM2SCN8A
SCHEMBL10483879 0.75 LOX (0.56) MC4RMC5RMC3RCHRM2FERMT2

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
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US claimed
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