SCHEMBL5260699

SCHEMBL5260699

Cn1c(C(=O)OC(=O)[C@@](C)(N)Cc2ccccc2)cc(-c2ccccc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
GPR119 Q8TDV5 5/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CYP19A1 P11511 1/20 0.35
SLC16A3 O15427 3/20 0.35
SLC16A1 P53985 3/20 0.35
MCTS1 Q9ULC4 3/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL1259808 0.87 PTGES (0.36) PTGESPTGES2GPR119PPARGPPARA
SCHEMBL1260411 0.76 CNR1 (0.43) CNR1
SCHEMBL1260967 0.69 KMT2A (0.43) CNR1
SCHEMBL1259826 0.67 CYP2C9 (0.42) CNR1CNR2
SCHEMBL1260378 0.65 CNR1 (0.49) CNR1
SCHEMBL2906434 0.64 HSD11B1 (0.47) CNR1
SCHEMBL1632109 0.62 SLC6A2 (0.52)
SCHEMBL5180745 0.62 SLC6A2 (0.52)
SCHEMBL8745476 0.62 SLC6A2 (0.52)
SCHEMBL1806977 0.62 PTPN1 (0.49) PPARGPPARA

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-1781636-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2007-05-09 EP claimed
WO-2006024777-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2006-03-09 WO claimed
EP-1781636-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2007-05-09 EP disclosed
WO-2006024777-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2006-03-09 WO disclosed