SCHEMBL3401410

SCHEMBL3401410

Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
PPARA Q07869 6/20 0.49
PPARD Q03181 2/20 0.49
CNR1 P21554 1/20 0.49
HRH3 Q9Y5N1 7/20 0.47
TARBP2 Q15633 1/20 0.44
PPARG P37231 1/20 0.42
HTR2C P28335 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 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
SCHEMBL3404671 0.88 CNR1 (0.48) EPHX2CNR1HRH3HTR2CNPC1
SCHEMBL3405357 0.88 CNR1 (0.54) PPARACNR1HRH3TARBP2HTR2C
SCHEMBL3401619 0.87 CNR1 (0.53) PPARACNR1HRH3TARBP2HTR2C
SCHEMBL3403012 0.86 ALDH1A1 (0.56) EPHX2PPARAPPARDCNR1PPARG
SCHEMBL3399685 0.85 CNR1 (0.55) CNR1HRH3HTR2CNPC1GAA
SCHEMBL3405399 0.85 CNR1 (0.57) CNR1HRH3TARBP2HTR2CNPC1
SCHEMBL13071718 0.84 CNR1 (0.50) PPARACNR1HRH3TARBP2PPARG
SCHEMBL3399775 0.84 CNR1 (0.58) CNR1HRH3TARBP2HTR2CNPC1
SCHEMBL3402146 0.84 TARBP2 (0.53) CNR1HRH3TARBP2HTR2CALDH1A1
SCHEMBL3398840 0.84 CNR1 (0.54) CNR1HRH3TARBP2HTR2CNPC1

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
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed