SCHEMBL7901045

SCHEMBL7901045

CC1(C)COCN1C(=O)n1cnc(-c2ccc(I)cc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.37
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CNR1 P21554 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL427876 0.89 CNR2 (0.39) CNR2GRM5KDM4EALDH1A1CYP1A2
SCHEMBL427139 0.80 CNR2 (0.37) CNR2GRM5KDM4EALDH1A1CYP1A2
SCHEMBL427537 0.76 GABRA5 (0.38) CNR2KDM4EALDH1A1CYP1A2GLA
SCHEMBL425743 0.63 FAAH (0.43) CNR2GRM5KDM4EALDH1A1CYP1A2
SCHEMBL427872 0.63 ALDH1A1 (0.36) CNR2KDM4EALDH1A1CYP1A2GLA
SCHEMBL425991 0.63 ALDH1A1 (0.40) CNR2KDM4EALDH1A1CYP1A2GLA
SCHEMBL426016 0.62 MAP4K4 (0.42) CNR2KDM4EALDH1A1CYP1A2GLA
SCHEMBL427656 0.61 DPP4 (0.33) CNR2KDM4EALDH1A1CYP1A2GLA
SCHEMBL425981 0.61 MIF (0.36) CNR2KDM4EHSD17B10CNR1
SCHEMBL425883 0.61 KDM1A (0.33) CNR2GRM5KDM4EALDH1A1CYP1A2

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-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed