SCHEMBL7284041

SCHEMBL7284041

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
LTA4H P09960 2/20 0.41
OPRM1 P35372 1/20 0.37
KCNH2 Q12809 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL7281706 0.90 LTA4H (0.41) ALDH1A1LMNAMAPTLTA4HSIGMAR1
SCHEMBL7275722 0.88 SIGMAR1 (0.41) ALDH1A1LMNAMAPTLTA4HSIGMAR1
SCHEMBL7282551 0.88 ABCB1 (0.44) ALDH1A1LMNAMAPTLTA4HOPRM1
SCHEMBL7281268 0.88 ABCB1 (0.44) ALDH1A1LMNAMAPTLTA4HOPRM1
SCHEMBL7274151 0.88 ABCB1 (0.44) ALDH1A1LMNAMAPTLTA4HOPRM1
Hydrochloric Acid SCHEMBL7283412 0.86 ITGB3 (0.44) ALDH1A1LMNAMAPTLTA4H
Hydrochloric Acid SCHEMBL7281006 0.86 ITGB3 (0.44) ALDH1A1LMNAMAPTLTA4H
Hydrochloric Acid SCHEMBL7283747 0.86 LTA4H (0.38) ALDH1A1LMNAMAPTLTA4H
SCHEMBL7274458 0.85 ABCB1 (0.43) ALDH1A1LMNAMAPTLTA4HOPRM1
Hydrochloric Acid SCHEMBL7272807 0.84 ITGB3 (0.43) ALDH1A1LMNAMAPTLTA4H

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