SCHEMBL7272371

SCHEMBL7272371

NCCCCc1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
MAOA P21397 1/20 0.36
SSTR5 P35346 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIK2 Q13002 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
SCHEMBL7284926 0.96 FFAR1 (0.41) FFAR1S1PR1S1PR3S1PR5SIGMAR1
SCHEMBL7274755 0.96 FFAR1 (0.41) FFAR1S1PR1S1PR3S1PR5SIGMAR1
Hydrochloric Acid SCHEMBL7274706 0.95 FFAR1 (0.40) FFAR1S1PR1S1PR3S1PR5SIGMAR1
SCHEMBL7284295 0.95 S1PR1 (0.40) FFAR1S1PR1S1PR3S1PR5SIGMAR1
SCHEMBL7285167 0.93 CYP1A2 (0.39) FFAR1S1PR1SSTR5
SCHEMBL7280816 0.93 SSTR5 (0.43) FFAR1SSTR5
SCHEMBL7276162 0.92 FFAR1 (0.41) FFAR1S1PR1S1PR3S1PR5ITGB3
Water SCHEMBL7277736 0.92 SIGMAR1 (0.41) FFAR1S1PR1S1PR3S1PR5SIGMAR1
SCHEMBL7274052 0.92 FFAR1 (0.43) FFAR1S1PR1S1PR3S1PR5ITGB3
SCHEMBL7280302 0.91 ALDH1A1 (0.40) FFAR1S1PR1S1PR3S1PR5SIGMAR1

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