SCHEMBL7273720

SCHEMBL7273720

O=C(O)C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc3c(c2)CC(N2C(=O)c4ccccc4C2=O)C3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.39
TBXA2R P21731 4/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
BCL2 P10415 2/20 0.33
MCL1 Q07820 1/20 0.33
BAD Q92934 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7273778 0.90 TBXA2R (0.39) PNMTTBXA2RKDM4EALDH1A1LMNA
Water SCHEMBL7275459 0.88 PNMT (0.41) PNMTTBXA2RALDH1A1SMN1; SMN2PKM
Water SCHEMBL7283376 0.86 TBXA2R (0.41) PNMTTBXA2RSMN1; SMN2PKM
SCHEMBL7276108 0.84 TBXA2R (0.40) PNMTTBXA2RSMN1; SMN2PKM
SCHEMBL7276521 0.84 PNMT (0.38) PNMTTBXA2RSMN1; SMN2PKM
SCHEMBL7283081 0.79 PNMT (0.37) PNMTTBXA2RKDM4ESMN1; SMN2PKM
SCHEMBL7276520 0.78 SMN1; SMN2 (0.35) PNMTSMN1; SMN2PKMTP53
SCHEMBL7276101 0.77 HTR6 (0.45) SMN1; SMN2PKM
SCHEMBL7285181 0.73 TDP1 (0.45) ALDH1A1SMN1; SMN2PKMTSHR
SCHEMBL7274663 0.72 ITGB3 (0.40) ALDH1A1SMN1; SMN2TSHR

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