SCHEMBL13723873

SCHEMBL13723873

CCNCCCC(C)NC(=N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 12/20 0.55
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL3093411 0.87 MC4R (0.72) MC4RPOLBKDM4E
SCHEMBL13147440 0.77 MC4R (0.59) MC4RPOLBKMT2A
SCHEMBL3093429 0.75 MC4R (0.54) MC4RHPGDKMT2A
SCHEMBL13147437 0.73 MC4R (0.72) MC4RPOLB
SCHEMBL3095690 0.73 KDM4E (0.48) MC4RKDM4EALDH1A1KMT2A
SCHEMBL13147484 0.71 MC4R (0.56) MC4RPOLBKMT2A
SCHEMBL3093419 0.71 MC4R (0.69) MC4RKDM4E
SCHEMBL14223731 0.71 MC4R (0.55) MC4RPOLBKMT2A
SCHEMBL3080769 0.71 ALDH1A1 (0.52) MC4RHPGDKDM4EALDH1A1KMT2A
SCHEMBL13147476 0.70 MC4R (0.62) MC4RPOLBKMT2A

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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