SCHEMBL7668679

SCHEMBL7668679

CC(N1CCN(C(=O)OCc2ccccc2)CC1=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TMEM97 Q5BJF2 6/20 0.41
SIGMAR1 Q99720 6/20 0.41
HSD11B1 P28845 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL16132827 0.84 MEN1 (0.51) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28429855 0.82 MEN1 (0.49) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28433634 0.81 MEN1 (0.48) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7668667 0.80 USP19 (0.46) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL22042029 0.80 MEN1 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19NPSR1
SCHEMBL7526701 0.80 USP19 (0.49) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28166617 0.80 USP19 (0.51) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28430741 0.79 USP19 (0.52) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28896509 0.78 MEN1 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19NPSR1
SCHEMBL4373544 0.77 MEN1 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19NPSR1

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
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US disclosed