SCHEMBL4452740

SCHEMBL4452740

Cc1nc(-c2cccc(NC(=O)NC3C4CN(c5ccc(F)cc5)CC43)c2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
CNR1 P21554 2/20 0.47
OTUD7B Q6GQQ9 1/20 0.47
RHOA P61586 1/20 0.46
HTT P42858 4/20 0.45
MAPK1 P28482 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BRD4 O60885 1/20 0.44
KDM1A O60341 1/20 0.42
RPS6KA3 P51812 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL4452736 1.00 MAPT (0.49) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL4456059 0.89 MEN1 (0.48) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL4456054 0.89 MEN1 (0.48) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL13783974 0.80 CCR3 (0.51) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL4454800 0.76 CCR3 (0.51) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL13783901 0.76 CCR3 (0.51) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL4454796 0.76 CCR3 (0.51) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL4564936 0.75 KDM4E (0.44) MAPTNPC1RAB9ACNR1MAPK1
SCHEMBL4564938 0.75 KDM4E (0.44) MAPTNPC1RAB9ACNR1MAPK1
SCHEMBL1764786 0.72 MAPT (0.70) MAPTLMNAMEN1NPC1RAB9A

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