SCHEMBL4451883

SCHEMBL4451883

O=C(Nc1cccc(-c2nccs2)c1)NC1C2CN(c3ccc(F)cc3F)CC21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.41
MAPT P10636 2/20 0.38
FGFR3 P22607 2/20 0.38
KDR P35968 2/20 0.38
CCR3 P51677 2/20 0.38
CYP2D6 P10635 1/20 0.38
CNR1 P21554 2/20 0.38
RHOA P61586 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
VCP P55072 1/20 0.36
NTRK1 P04629 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL4451072 1.00 CASR (0.41) CASRMAPTFGFR3KDRCCR3
SCHEMBL13783971 1.00 CASR (0.41) CASRMAPTFGFR3KDRCCR3
SCHEMBL13783977 0.84 CCR3 (0.47) MAPTCCR3CNR1NPC1RAB9A
SCHEMBL4458269 0.84 CCR3 (0.47) MAPTCCR3CNR1NPC1RAB9A
SCHEMBL4458275 0.84 CCR3 (0.47) MAPTCCR3CNR1NPC1RAB9A
SCHEMBL4450002 0.84 HCRTR1 (0.41) MAPTCCR3CYP2D6CNR1NPC1
SCHEMBL4450000 0.84 HCRTR1 (0.41) MAPTCCR3CYP2D6CNR1NPC1
SCHEMBL4456054 0.81 MEN1 (0.48) MAPTCNR1RHOANPC1RAB9A
SCHEMBL4456059 0.81 MEN1 (0.48) MAPTCNR1RHOANPC1RAB9A
SCHEMBL13783917 0.79 CNR1 (0.41) FGFR3KDRCCR3CYP2D6CNR1

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