SCHEMBL14435280

SCHEMBL14435280

CC[C@H](Cc1cc(Cl)ccc1C1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2F)CC1)CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 16/20 0.41
▸ MC3R P41968 5/20 0.41
▸ MC5R P33032 4/20 0.41
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL14435265 0.89 AKT1 (0.43) MC4RMC3R
SCHEMBL14435259 0.89 AKT1 (0.43) MC4RMC3R
SCHEMBL14435266 0.86 AKT1 (0.44) MC4RMC3RHDAC8
SCHEMBL14435254 0.86 AKT1 (0.44) MC4RMC3RHDAC8
SCHEMBL14435273 0.85 ADAM17 (0.39) MC4RMC3RMC5RHDAC8HDAC3
SCHEMBL14435240 0.83 ADAM17 (0.42) MC4RMC3RMC5RHDAC8HDAC3
SCHEMBL14435242 0.83 ADAM17 (0.42) MC4RMC3RMC5RHDAC8HDAC3
SCHEMBL14435613 0.81 DPP4 (0.44) MC4RMC3R
SCHEMBL14435993 0.79 CCR1 (0.43) MC4R
SCHEMBL14436002 0.79 CCR1 (0.43) 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
WO-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
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