SCHEMBL4749527

SCHEMBL4749527

COCCN1C[C@H](C(=O)c2cncc(OC)c2)C(c2cccc(F)c2C)[C@H](c2[c]cc(OC)cn2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.38
KDM2B Q8NHM5 1/20 0.35
MCHR1 Q99705 6/20 0.33
NTRK1 P04629 8/20 0.33
GSK3B P49841 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32
KCNH2 Q12809 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NTRK3 Q16288 3/20 0.31
NTRK2 Q16620 3/20 0.31

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
SCHEMBL4749206 0.88 KDM2B (0.42) MC4RKDM2BNTRK1GSK3BRXFP1
SCHEMBL4749161 0.78 KDM2B (0.38) MC4RKDM2BMCHR1NTRK1KCNH2
SCHEMBL4021139 0.76 KDM2B (0.43) MC4RKDM2BMCHR1SMN1; SMN2
SCHEMBL4026436 0.75 KDM2B (0.42) MC4RKDM2BMCHR1THRBSMN1; SMN2
SCHEMBL4020026 0.75 KDM2B (0.42) MC4RKDM2BMCHR1SMN1; SMN2
SCHEMBL4026512 0.74 NPC1 (0.41) MC4RKDM2BNTRK1
SCHEMBL4780053 0.73 MC4R (0.44) MC4RNTRK1NTRK3NTRK2
SCHEMBL4749342 0.73 KDM2B (0.40) MC4RKDM2BMCHR1
SCHEMBL4024597 0.72 KDM2B (0.45) KDM2BSMN1; SMN2
SCHEMBL4021398 0.72 KDM2B (0.45) KDM2BSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed