SCHEMBL7284926

SCHEMBL7284926

NCCCCc1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 5/20 0.39
SIGMAR1 Q99720 4/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
SSTR5 P35346 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
MAOA P21397 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
OPRM1 P35372 1/20 0.36
LTA4H P09960 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
SCHEMBL7284295 0.99 S1PR1 (0.40) FFAR1ALDH1A1LMNAMAPTS1PR1
Hydrochloric Acid SCHEMBL7274706 0.99 FFAR1 (0.40) FFAR1ALDH1A1LMNAMAPTS1PR1
SCHEMBL7274755 0.98 FFAR1 (0.41) FFAR1ALDH1A1LMNAMAPTS1PR1
SCHEMBL7280816 0.96 SSTR5 (0.43) FFAR1SSTR5LTA4H
SCHEMBL7272371 0.96 FFAR1 (0.41) FFAR1ALDH1A1LMNAMAPTS1PR1
Water SCHEMBL7277736 0.96 SIGMAR1 (0.41) FFAR1ALDH1A1LMNAMAPTS1PR1
SCHEMBL7280302 0.95 ALDH1A1 (0.40) FFAR1ALDH1A1LMNAMAPTS1PR1
SCHEMBL7274052 0.94 FFAR1 (0.43) FFAR1S1PR1S1PR3S1PR5ITGB3
SCHEMBL7274420 0.93 SSTR5 (0.34) FFAR1ALDH1A1LMNAMAPTS1PR1
SCHEMBL7275542 0.93 ALDH1A1 (0.40) FFAR1ALDH1A1LMNAMAPTS1PR1

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
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP claimed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP claimed
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed