SCHEMBL3427633

SCHEMBL3427633

[CH2]C(=O)CNCCc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 1/20 0.64
MC3R P41968 1/20 0.64
MC1R Q01726 1/20 0.64
HTR2A P28223 2/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62
G6PD P11413 1/20 0.59
MMP9 P14780 1/20 0.59
AANAT Q16613 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HTR1A P08908 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
SCHEMBL660463 0.87 MC5R (0.66) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL29489675 0.87 MC5R (0.66) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL9542634 0.83 HTR2A (0.63) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL7037221 0.83 MC5R (0.73) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL17232881 0.83 MC5R (0.83) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL7970552 0.81 MC5R (0.81) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL7559256 0.80 SMN1; SMN2 (0.67) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL5939865 0.80 MC5R (0.64) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL7144840 0.79 HTR2A (0.58) MC5RMC3RMC1RHTR2AKMT2A
SCHEMBL4017867 0.79 MC5R (0.71) MC5RMC3RMC1RHTR2AKMT2A

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-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 WO disclosed