SCHEMBL7274357

SCHEMBL7274357

NCCCCC(=O)C(N)[C@@H]1C[C@@H](CCC(=O)O)C(=O)N1CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.40
PTGER4 P35408 5/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PTGER3 P43115 1/20 0.37
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL7274286 0.99 PTGER4 (0.39) SIGMAR1PTGER4MAPTRXFP1PTGER3
SCHEMBL7283910 0.91 SIGMAR1 (0.40) SIGMAR1PTGER4MAPTRXFP1PTGER3
SCHEMBL7272947 0.90 SIGMAR1 (0.40) SIGMAR1PTGER4MAPTRXFP1PTGER3
SCHEMBL7281748 0.90 SIGMAR1 (0.40) SIGMAR1PTGER4MAPTRXFP1PTGER3
SCHEMBL7281938 0.90 SIGMAR1 (0.40) SIGMAR1PTGER4MAPTRXFP1PTGER3
SCHEMBL7282203 0.88 SIGMAR1 (0.43) SIGMAR1PTGER4PTGER3HDAC3MAPK1
SCHEMBL7274398 0.85 MMP2 (0.36) SIGMAR1PTGER4MAPTRXFP1PTGER3
SCHEMBL7275947 0.82 ALDH1A1 (0.37) SIGMAR1PTGER4PTGER3SMN1; SMN2LTA4H
SCHEMBL7280204 0.80 SIGMAR1 (0.39) SIGMAR1PTGER4PTGER3SMN1; SMN2LTA4H
SCHEMBL7274361 0.79 SIGMAR1 (0.41) SIGMAR1SMN1; SMN2LTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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