SCHEMBL13723410

SCHEMBL13723410

Bc1ccc(OC)c(CCc2c(F)cccc2C(=O)/N=C(\NCCCn2ccnc2)Nc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 7/20 0.45
▸ MAPT P10636 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ QPCTL Q9NXS2 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL13146956 0.92 MC4R (0.52) QPCTMAPTMC4R
SCHEMBL13724368 0.92 QPCT (0.44) QPCTMAPTMC4RALDH1A1PKM
SCHEMBL13147602 0.83 MC4R (0.49) QPCTMC4R
SCHEMBL13146920 0.83 MC4R (0.49) QPCTMC4R
SCHEMBL13146943 0.82 MC4R (0.53) QPCTMC4R
SCHEMBL13723953 0.80 MC4R (0.42) MC4R
SCHEMBL3822838 0.77 MC4R (0.60) QPCTMC4R
SCHEMBL3076845 0.77 MC4R (0.54) MC4R
SCHEMBL3076843 0.77 MC4R (0.54) MC4R
SCHEMBL3096173 0.76 MC4R (0.59) MC4R

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-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP disclosed
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