SCHEMBL20139201

SCHEMBL20139201

C[C@H]1CN(c2cccc(N=[N+]=[N-])c2)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.45
NPC1 O15118 2/20 0.43
NOTUM Q6P988 3/20 0.40
RIPK1 Q13546 1/20 0.39
HTR1A P08908 1/20 0.39
GRM1 Q13255 1/20 0.38
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
SCD5 Q86SK9 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM4 P08173 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL20159149 0.85 NR1H2 (0.49) FAAH
SCHEMBL23777734 0.79 NOTUM (0.57) FAAHNPC1NOTUMHTR1ARAB9A
SCHEMBL27606539 0.78 FAAH (0.54) FAAHNPC1NOTUMGRM1CTSB
SCHEMBL20139213 0.78 FAAH (0.54) FAAHNPC1NOTUMGRM1CTSB
SCHEMBL20159148 0.74 KHK (0.45) RIPK1HTR1A
SCHEMBL27564787 0.71 GRM1 (0.67) HTR1AGRM1CTSBCTSSCTSK
SCHEMBL22466241 0.71 HTR1A (0.49) RIPK1HTR1A
SCHEMBL4573827 0.70 NPC1 (0.43) FAAHNPC1NOTUMGRM1CHRM2
SCHEMBL30005676 0.70 NOTUM (0.53) FAAHNPC1NOTUMCHRM2CHRM1
SCHEMBL4585200 0.69 CTSB (0.54) FAAHCTSBCTSSCTSKCHRM4

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed