SCHEMBL6965557

SCHEMBL6965557

CC(Oc1ccc2cc(CC3SC(=O)NC3=O)cnc2c1)N(C)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.54
RXRA P19793 2/20 0.51
RARG P13631 1/20 0.51
FFAR1 O14842 5/20 0.43
PPARA Q07869 2/20 0.43
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5184408 0.86 PPARG (0.69) PPARGRXRARARGFFAR1PPARA
SCHEMBL6965562 0.85 PPARG (0.74) PPARGRXRARARGFFAR1PPARA
SCHEMBL6963261 0.81 PPARG (0.59) PPARGRXRARARGFFAR1PPARA
SCHEMBL6955783 0.79 FFAR1 (0.48) PPARGRXRAFFAR1PPARACYP3A4
SCHEMBL6959636 0.78 PPARG (0.52) PPARGRXRAFFAR1PPARAMPC2
SCHEMBL6964931 0.78 PPARG (0.56) PPARGRXRAFFAR1PPARAMPC2
SCHEMBL6958537 0.77 PPARG (0.48) PPARGFFAR1PPARA
SCHEMBL29602962 0.76 FFAR1 (0.59) PPARGFFAR1PPARACYP3A4
SCHEMBL377641 0.76 FFAR1 (0.59) PPARGFFAR1PPARACYP3A4
SCHEMBL6958784 0.76 FFAR1 (0.58) PPARGRXRAFFAR1PPARACYP3A4

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-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed