SCHEMBL7274458

SCHEMBL7274458

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N(CCCCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
HPGD P15428 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
NAMPT P43490 1/20 0.37
FAAH O00519 1/20 0.36
YAP1 P46937 1/20 0.36
SSTR5 P35346 1/20 0.36
MCHR1 Q99705 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
SCHEMBL7282551 0.97 ABCB1 (0.44) ABCB1HPGDABCG2MAPTPOLB
SCHEMBL7281268 0.97 ABCB1 (0.44) ABCB1HPGDABCG2MAPTPOLB
SCHEMBL7274151 0.97 ABCB1 (0.44) ABCB1HPGDABCG2MAPTPOLB
SCHEMBL7273850 0.94 ABCB1 (0.46) ABCB1HPGDABCG2MAPTPOLB
SCHEMBL7282794 0.91 MMP3 (0.41) LTA4HHRH1
SCHEMBL7273402 0.91 ABCB1 (0.44) ABCB1HPGDABCG2MAPTALDH1A1
SCHEMBL7274990 0.90 LTA4H (0.40) ABCB1HPGDABCG2MAPTPOLB
SCHEMBL7276469 0.89 ABCB1 (0.45) ABCB1HPGDABCG2MAPTALDH1A1
SCHEMBL7275504 0.89 ABCB1 (0.45) ABCB1HPGDABCG2MAPTALDH1A1
SCHEMBL8881533 0.89 ABCB1 (0.42) ABCB1HPGDABCG2MAPTPOLB

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