SCHEMBL6073063

SCHEMBL6073063

O=C(O)CN(Cc1ccc(OCCN2C(=O)CSc3ccccc32)cc1)C(=O)Oc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CHRM1 P11229 1/20 0.38
PPARA Q07869 6/20 0.37
PPARG P37231 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6073290 0.92 DRD2 (0.39) TSHRCHRM1PPARAPPARGNPSR1
SCHEMBL6073121 0.90 NPSR1 (0.48) TSHRPPARAPPARGNPSR1LMNA
SCHEMBL6073175 0.90 PPARA (0.44) TSHRCHRM1PPARAPPARGNPSR1
SCHEMBL6073207 0.87 PPARG (0.39) TSHRCHRM1PPARAPPARGBCHE
SCHEMBL6073462 0.83 NPSR1 (0.45) TSHRNPSR1LMNAALDH1A1
SCHEMBL6073092 0.82 KDM4E (0.40) TSHRPPARAPPARGLMNASMN1; SMN2
SCHEMBL6073174 0.81 NPSR1 (0.49) TSHRNPSR1LMNAALDH1A1
SCHEMBL6073183 0.81 NPSR1 (0.52) TSHRPPARAPPARGNPSR1LMNA
SCHEMBL6073520 0.80 NPSR1 (0.49) TSHRPPARAPPARGNPSR1LMNA
SCHEMBL6073165 0.79 NPSR1 (0.49) TSHRPPARAPPARGNPSR1LMNA

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-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed