SCHEMBL12070397

SCHEMBL12070397

C1CC(c2noc(C3CC3)n2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.50
NR1H4 Q96RI1 1/20 0.47
PLAT P00750 5/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM1A O60341 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
USP30 Q70CQ3 1/20 0.35
GRM5 P41594 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL12069893 1.00 USP7 (0.50) USP7NR1H4PLATMAOAMAOB
SCHEMBL12505958 0.93 USP7 (0.48) USP7NR1H4PLATCNR1CNR2
SCHEMBL12070540 0.93 USP7 (0.48) USP7NR1H4PLATCHRM1CHRM3
SCHEMBL24844836 0.91 USP7 (0.47) USP7NR1H4PLATCNR1CNR2
SCHEMBL12506163 0.91 USP7 (0.47) USP7NR1H4PLATCNR1CNR2
SCHEMBL12255466 0.89 NR1H4 (0.41) USP7NR1H4PLATMAOAMAOB
Trifluoroacetic Acid SCHEMBL19434241 0.85 USP7 (0.43) USP7NR1H4PLATCHRM1CHRM3
SCHEMBL3696393 0.78 CNR1 (0.39) USP7CNR1CNR2USP30GRM5
SCHEMBL3122755 0.78 CNR1 (0.39) MAOAMAOBCNR1CNR2USP30
SCHEMBL23624594 0.78 CASP3 (0.51) CNR1CNR2USP30GRM5POLB

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-2011148922-A1 NOVEL QUINAZOLINE COMPOUND 田辺三菱製薬株式会社 (JP) 2011-12-01 WO disclosed