SCHEMBL7274358

SCHEMBL7274358

C=CC[C@H]1CC(COc2ccc(CCCCNC(=O)OC(C)(C)C)cc2)N(CCCCc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
CACNA1G O43497 3/20 0.39
DRD2 P14416 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
KMT2A Q03164 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL7283476 0.98 SIGMAR1 (0.45) SIGMAR1CACNA1GDRD2NPSR1CA12
SCHEMBL7282368 0.97 SIGMAR1 (0.44) SIGMAR1DRD2NPSR1CA12CA1
SCHEMBL7275258 0.96 CA12 (0.41) SIGMAR1CACNA1GDRD2CA12CA1
SCHEMBL7275517 0.95 SIGMAR1 (0.43) SIGMAR1NPSR1
SCHEMBL7280624 0.94 SIGMAR1 (0.45) SIGMAR1CA1CA2FNTAFNTB
SCHEMBL7272287 0.94 SIGMAR1 (0.42) SIGMAR1NPSR1CA12CA1CA2
SCHEMBL7281590 0.92 SIGMAR1 (0.44) SIGMAR1CACNA1GNPSR1
SCHEMBL7368900 0.91 SIGMAR1 (0.42) SIGMAR1NPSR1
SCHEMBL7282068 0.91 SIGMAR1 (0.45) SIGMAR1CACNA1GDRD2NPSR1CA12
SCHEMBL7272211 0.90 SIGMAR1 (0.38) SIGMAR1DRD2CA12CA1CA2

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed