SCHEMBL13002993

SCHEMBL13002993

C/[O+]=C(/[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCCC1)N1CCC(c2ccccc2OCCN2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ EPHX2 P34913 4/20 0.41
▸ MC4R P32245 1/20 0.38
▸ MC5R P33032 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ MC1R Q01726 1/20 0.38
▸ F10 P00742 2/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2J2 P51589 1/20 0.37
▸ CALCA P06881 1/20 0.37
▸ KCNA5 P22460 1/20 0.36

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
SCHEMBL12713046 0.90 MC4R (0.47) MEN1KMT2AHTR1AHTR7EPHX2
SCHEMBL12713076 0.84 CALCA (0.46) EPHX2MC4RMC5RMC3RMC1R
SCHEMBL12713057 0.83 MC4R (0.44) MEN1KMT2AHTR1AHTR7MC4R
SCHEMBL12713299 0.83 MEN1 (0.40) MEN1KMT2AHTR1AHTR7EPHX2
SCHEMBL12713085 0.82 CALCA (0.46) EPHX2MC4RMC5RMC3RMC1R
SCHEMBL12713297 0.81 HDAC8 (0.51) MEN1KMT2AHTR1AHTR7EPHX2
SCHEMBL12738097 0.81 MC4R (0.55) MEN1KMT2AHTR1AHTR7MC4R
SCHEMBL12713097 0.81 CALCA (0.43) EPHX2MC4RMC5RMC3RMC1R
SCHEMBL12713089 0.80 CALCA (0.45) EPHX2MC4RMC5RMC3RMC1R
SCHEMBL12713110 0.80 CALCA (0.46) EPHX2MC4RMC5RMC3RMC1R

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-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 — — EP disclosed
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