SCHEMBL2489057

SCHEMBL2489057

Cc1ncccc1-c1ccc(C(=O)NC2(C(=O)O)CCCCC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.38
PAICS P22234 3/20 0.35
ERAP1 Q9NZ08 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
EIF4E P06730 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
KDR P35968 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 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
Hydrochloric Acid SCHEMBL545142 0.99 LPAR1 (0.37) LPAR1PAICSERAP1LMNAGAA
SCHEMBL914406 0.94 DGAT2 (0.35) LPAR1PAICSLMNAGAAPDE5A
SCHEMBL2488907 0.91 LPAR1 (0.39) LPAR1PAICSLMNAGAAPDE5A
Hydrochloric Acid SCHEMBL544262 0.91 LPAR1 (0.37) LPAR1PAICSERAP1LMNAGAA
Hydrochloric Acid SCHEMBL544865 0.91 LPAR1 (0.38) LPAR1PAICSLMNAGAAPDE5A
Hydrochloric Acid SCHEMBL544080 0.91 LPAR1 (0.38) LPAR1PAICSLMNAGAAPDE5A
Hydrochloric Acid SCHEMBL543863 0.91 LPAR1 (0.38) LPAR1PAICSERAP1PDE5APDE4D
Hydrochloric Acid SCHEMBL544286 0.90 LPAR1 (0.39) LPAR1PAICSPDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544104 0.89 LPAR1 (0.38) LPAR1PAICSERAP1PDE5APDE4D
SCHEMBL2490160 0.89 LPAR1 (0.40) LPAR1PAICSERAP1PDE5APDE4D

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
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP claimed
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP disclosed