SCHEMBL4451208

SCHEMBL4451208

CC(C)(C)c1nnc(-c2cccc(NC(=O)N[C@H]3[C@@H]4CN(c5ccc(F)cc5F)C[C@@H]43)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LCLAT1 Q6UWP7 5/20 0.40
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
TSHR P16473 3/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
DGAT1 O75907 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4451212 1.00 KDM4E (0.42) KDM4ELCLAT1FGFR3KDRSMN1; SMN2
SCHEMBL4564936 0.89 KDM4E (0.44) KDM4ELCLAT1FGFR3KDRSMN1; SMN2
SCHEMBL4564938 0.89 KDM4E (0.44) KDM4ELCLAT1FGFR3KDRSMN1; SMN2
SCHEMBL13783917 0.80 CNR1 (0.41) FGFR3KDRSMN1; SMN2POLBALDH1A1
SCHEMBL4457335 0.78 CNR1 (0.41) FGFR3KDRSMN1; SMN2NPC1RAB9A
SCHEMBL13783790 0.78 CNR1 (0.41) FGFR3KDRSMN1; SMN2NPC1RAB9A
SCHEMBL4457337 0.78 CNR1 (0.41) FGFR3KDRSMN1; SMN2NPC1RAB9A
SCHEMBL4458275 0.78 CCR3 (0.47) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13783977 0.78 CCR3 (0.47) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4458269 0.78 CCR3 (0.47) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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