SCHEMBL7526701

SCHEMBL7526701

O=C1CN(C(=O)OCc2ccccc2)CCN1CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 1/20 0.42
HSD11B1 P28845 2/20 0.41
FKBP1A P62942 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 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
SCHEMBL7668667 0.89 USP19 (0.46) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3902852 0.80 SMN1; SMN2 (0.56) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7668679 0.80 USP19 (0.46) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8386105 0.79 KMT2A (0.52) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3622805 0.78 MEN1 (0.51) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16475199 0.77 TMEM97 (0.52) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28439343 0.77 MEN1 (0.50) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4391159 0.77 MEN1 (0.50) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28429223 0.76 USP19 (0.55) USP19SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7524780 0.76 MEN1 (0.43) USP19SMN1; SMN2NPC1RAB9ACYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165013-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1165013-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US disclosed
WO-2000051547-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed