SCHEMBL4564936

SCHEMBL4564936

CC(C)(C)c1nnc(-c2cccc(NC(=O)N[C@H]3[C@@H]4CN(c5ccc(F)cc5)C[C@@H]43)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
DGAT1 O75907 1/20 0.44
FGFR3 P22607 2/20 0.40
KDR P35968 2/20 0.40
NPC1 O15118 4/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
CNR1 P21554 1/20 0.38
LCLAT1 Q6UWP7 2/20 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
SCHEMBL4564938 1.00 KDM4E (0.44) KDM4EDGAT1FGFR3KDRNPC1
SCHEMBL4451212 0.89 KDM4E (0.42) KDM4EDGAT1FGFR3KDRNPC1
SCHEMBL4451208 0.89 KDM4E (0.42) KDM4EDGAT1FGFR3KDRNPC1
SCHEMBL4454796 0.77 CCR3 (0.51) KDM4EFGFR3KDRNPC1TSHR
SCHEMBL13783974 0.77 CCR3 (0.51) KDM4EFGFR3KDRNPC1TSHR
SCHEMBL13783901 0.77 CCR3 (0.51) KDM4EFGFR3KDRNPC1TSHR
SCHEMBL4454800 0.77 CCR3 (0.51) KDM4EFGFR3KDRNPC1TSHR
SCHEMBL4452740 0.75 MAPT (0.49) KDM4ENPC1SMN1; SMN2RAB9APOLB
SCHEMBL4452736 0.75 MAPT (0.49) KDM4ENPC1SMN1; SMN2RAB9APOLB
SCHEMBL4557844 0.73 KDM4E (0.64) KDM4ENPC1TSHRSMN1; SMN2HSD17B10

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed