SCHEMBL934867

SCHEMBL934867

Cc1ccccc1-c1cnc(C(=O)NC2(C(=O)O)CCCCC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ATM Q13315 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
LPAR1 Q92633 3/20 0.37
PAICS P22234 2/20 0.36
PDE5A O76074 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
SLC6A9 P48067 1/20 0.35
KDR P35968 1/20 0.34
ERAP1 Q9NZ08 1/20 0.33
TACR2 P21452 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
SCHEMBL2488907 0.90 LPAR1 (0.39) KDM4EATMMAPTMAPK1LPAR1
Hydrochloric Acid SCHEMBL544080 0.90 LPAR1 (0.38) KDM4EATMMAPTMAPK1LPAR1
Hydrochloric Acid SCHEMBL544865 0.90 LPAR1 (0.38) KDM4EATMMAPTMAPK1LPAR1
Hydrochloric Acid SCHEMBL544508 0.86 PAICS (0.37) KDM4EATMMAPTMAPK1LPAR1
Hydrochloric Acid SCHEMBL544147 0.86 LPAR1 (0.37) KDM4EATMMAPTMAPK1LPAR1
SCHEMBL934611 0.85 KDM4E (0.38) KDM4EMAPTLPAR1
SCHEMBL913389 0.85 DGAT2 (0.35) KDM4EATMMAPTMAPK1LPAR1
Hydrochloric Acid SCHEMBL913465 0.84 DGAT2 (0.35) KDM4EATMMAPTMAPK1LPAR1
Hydrochloric Acid SCHEMBL544409 0.84 LPAR1 (0.40) KDM4EATMMAPTMAPK1LPAR1
Hydrochloric Acid SCHEMBL545152 0.84 LPAR1 (0.37) KDM4EATMMAPTMAPK1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011007090-A1 DERIVATIVES OF 5,6-BISARYL-2-PYRIMIDINE-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS UROTENSIN-II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-20 WO claimed