SCHEMBL11068554

SCHEMBL11068554

O=C(O)CCCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC3R P41968 13/20 0.74
MC4R P32245 12/20 0.74
MC5R P33032 13/20 0.73
CDK4 P11802 1/20 0.60
ALDH1A1 P00352 1/20 0.59
TRPM8 Q7Z2W7 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL11471836 0.88 MC3R (0.68) MC3RMC4RMC5RCDK4ALDH1A1
SCHEMBL14264727 0.88 MC4R (0.71) MC3RMC4RMC5RCDK4ALDH1A1
SCHEMBL11469475 0.84 ALDH1A1 (0.60) MC3RMC4RMC5RCDK4ALDH1A1
SCHEMBL11484912 0.82 SMN1; SMN2 (0.71) CDK4ALDH1A1
SCHEMBL11066319 0.82 MC4R (0.60) MC3RMC4RMC5RCDK4TRPM8
SCHEMBL13965293 0.79 MC4R (0.59) MC3RMC4RMC5RCDK4ALDH1A1
SCHEMBL13965294 0.79 MC4R (0.59) MC3RMC4RMC5RCDK4ALDH1A1
SCHEMBL7866153 0.79 MC3R (0.69) MC3RMC4RMC5RCDK4
SCHEMBL12464095 0.79 NLN (0.66) MC3RMC4RMC5RCDK4TRPM8
SCHEMBL35884 0.79 MEN1 (0.68) MC3RMC4RALDH1A1MEN1KMT2A

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-4425351-A ANTIANOXIC SYNTHELABO (FR) 1984-01-10 US disclosed