SCHEMBL4456054

SCHEMBL4456054

Cc1nc(-c2cccc(NC(=O)N[C@H]3[C@@H]4CN(c5ccc(F)cc5F)C[C@@H]43)c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.46
OTUD7B Q6GQQ9 1/20 0.45
RHOA P61586 1/20 0.44
HTT P42858 3/20 0.43
CNR1 P21554 1/20 0.43
BRD4 O60885 1/20 0.42
KDM1A O60341 1/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RPS6KA3 P51812 2/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4456059 1.00 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4452740 0.89 MAPT (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4452736 0.89 MAPT (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13783790 0.83 CNR1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4457335 0.83 CNR1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4457337 0.83 CNR1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13783917 0.81 CNR1 (0.41) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL4458275 0.81 CCR3 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13783977 0.81 CCR3 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4458269 0.81 CCR3 (0.47) MEN1KMT2ANPC1RAB9AMAPT

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