SCHEMBL7276565

SCHEMBL7276565

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3C)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.43
HRH2 P25021 1/20 0.43
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.36
HPGD P15428 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
NAMPT P43490 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LTA4H P09960 1/20 0.35
CYP11B2 P19099 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
EGLN1 Q9GZT9 6/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
OPRM1 P35372 1/20 0.34
YAP1 P46937 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
SCHEMBL7281268 0.91 ABCB1 (0.44) HRH1HRH2ALDH1A1LMNAMAPT
SCHEMBL7274151 0.91 ABCB1 (0.44) HRH1HRH2ALDH1A1LMNAMAPT
SCHEMBL7282551 0.91 ABCB1 (0.44) HRH1HRH2ALDH1A1LMNAMAPT
SCHEMBL7274335 0.89 PPARG (0.38) HRH1ALDH1A1LMNAMAPTNAMPT
SCHEMBL7274458 0.88 ABCB1 (0.43) HRH1ALDH1A1LMNAMAPTABCB1
Hydrochloric Acid SCHEMBL7282181 0.87 ITGB3 (0.36) ALDH1A1LMNAMAPTFFAR4LTA4H
SCHEMBL7275123 0.86 AR (0.36) HRH1ALDH1A1LMNAMAPTABCB1
SCHEMBL7273850 0.85 ABCB1 (0.46) ALDH1A1LMNAMAPTABCB1HPGD
SCHEMBL7274990 0.85 LTA4H (0.40) HRH1HRH2ALDH1A1LMNAMAPT
SCHEMBL7276554 0.85 VNN1 (0.41) ALDH1A1LMNAMAPTFFAR4LTA4H

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