SCHEMBL7274335

SCHEMBL7274335

COC(=O)C[C@@H]1C[C@@H](COc2ccc3c(c2)C(=O)c2cc(C#N)ccc2-3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
LTA4H P09960 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 1/20 0.36
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 2/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL7276565 0.89 HRH1 (0.43) LTA4HALDH1A1LMNAMAPTNAMPT
SCHEMBL7281268 0.88 ABCB1 (0.44) LTA4HALDH1A1LMNAMAPTHTR1A
SCHEMBL7274151 0.88 ABCB1 (0.44) LTA4HALDH1A1LMNAMAPTHTR1A
SCHEMBL7282551 0.88 ABCB1 (0.44) LTA4HALDH1A1LMNAMAPTHTR1A
Hydrochloric Acid SCHEMBL7276269 0.87 ITGB3 (0.35) PPARGALDH1A1LMNAMAPTS1PR1
SCHEMBL7274458 0.86 ABCB1 (0.43) LTA4HALDH1A1LMNAMAPTNAMPT
SCHEMBL7276554 0.85 VNN1 (0.41) PPARGLTA4HALDH1A1LMNAMAPT
SCHEMBL7272626 0.85 MAPT (0.36) LTA4HALDH1A1LMNAMAPTNAMPT
SCHEMBL7284386 0.84 ALDH1A1 (0.36) LTA4HALDH1A1LMNAMAPTNAMPT
SCHEMBL7271733 0.83 AR (0.49) ALDH1A1LMNAMAPTMEN1

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