SCHEMBL7274286

SCHEMBL7274286

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.39
SIGMAR1 Q99720 4/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.36
PTGER1 P34995 1/20 0.36
PTGFR P43088 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
MMP2 P08253 1/20 0.35
CPB2 Q96IY4 1/20 0.35

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
SCHEMBL7274357 0.99 SIGMAR1 (0.40) PTGER4SIGMAR1MAPTRXFP1PTGER3
SCHEMBL7281938 0.91 SIGMAR1 (0.40) PTGER4SIGMAR1MAPTRXFP1PTGER3
SCHEMBL7281748 0.91 SIGMAR1 (0.40) PTGER4SIGMAR1MAPTRXFP1PTGER3
SCHEMBL7272947 0.91 SIGMAR1 (0.40) PTGER4SIGMAR1MAPTRXFP1PTGER3
SCHEMBL7283910 0.90 SIGMAR1 (0.40) PTGER4SIGMAR1MAPTRXFP1PTGER3
SCHEMBL7282203 0.87 SIGMAR1 (0.43) PTGER4SIGMAR1PTGER3
SCHEMBL7274398 0.86 MMP2 (0.36) PTGER4SIGMAR1MAPTRXFP1PTGER3
SCHEMBL7275947 0.81 ALDH1A1 (0.37) PTGER4SIGMAR1PTGER3
SCHEMBL7283503 0.80 MMP2 (0.38) SIGMAR1MAPTMMP2CPB2
SCHEMBL7274292 0.79 MMP2 (0.41) SIGMAR1MAPTRXFP1MMP2

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 2 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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed