SCHEMBL4012253

SCHEMBL4012253

O=C(O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.68
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
KDR P35968 1/20 0.42
TNF P01375 1/20 0.41
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GRM4 Q14833 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL3941492 0.86 FAAH (0.59) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4019524 0.85 FAAH (0.78) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4015901 0.84 FAAH (0.67) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4013550 0.83 FAAH (0.61) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4012855 0.83 FAAH (0.79) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4012448 0.82 FAAH (0.57) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4011606 0.82 FAAH (0.67) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4013486 0.82 FAAH (0.60) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4015735 0.82 FAAH (0.61) FAAHNPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL4020374 0.82 FAAH (0.54) FAAHNPC1KDM4ESMN1; SMN2RAB9A

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed