SCHEMBL29338182

SCHEMBL29338182

CC1(c2ccccc2)CCN(C(=O)CN)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.52
ADAMTS5 Q9UNA0 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
BLM P54132 1/20 0.43
GRM5 P41594 1/20 0.43
OPRD1 P41143 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 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
SCHEMBL18793811 0.86 OPRM1 (0.66) OPRM1ADAMTS5BLMGRM5OPRD1
SCHEMBL27099821 0.84 ADAMTS5 (0.51) OPRM1ADAMTS5BLMGRM5OPRD1
SCHEMBL27099786 0.84 ADAMTS5 (0.51) OPRM1ADAMTS5BLMGRM5OPRD1
SCHEMBL18793808 0.84 LMNA (0.49) OPRM1SIGMAR1BLMALDH1A1EPHX2
SCHEMBL18088639 0.82 OPRM1 (0.49) OPRM1ADAMTS5OPRD1MEN1KMT2A
SCHEMBL13997703 0.82 ADAMTS5 (0.49) OPRM1ADAMTS5BLMGRM5OPRD1
SCHEMBL5559794 0.82 OPRM1 (0.47) OPRM1ADAMTS5OPRD1MEN1KMT2A
SCHEMBL18088809 0.81 ADAMTS5 (0.48) OPRM1ADAMTS5BLMGRM5MEN1
SCHEMBL27099820 0.81 ADAMTS5 (0.48) OPRM1ADAMTS5BLMGRM5OPRD1
SCHEMBL18088638 0.80 USP2 (0.57) OPRM1ADAMTS5OPRD1MEN1KMT2A

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
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed