SCHEMBL3405874

SCHEMBL3405874

Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCCC1CCCN1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.56
ACKR3 P25106 2/20 0.49
PPARA Q07869 5/20 0.48
PPARD Q03181 2/20 0.48
LCK P06239 1/20 0.48
CHRM3 P20309 1/20 0.44
PANK3 Q9H999 1/20 0.41
HTR2C P28335 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
POLR1A O95602 1/20 0.40
PPARG P37231 1/20 0.40
SCN3A Q9NY46 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
SCHEMBL3401222 0.93 CHRM4 (0.56) CHRM4ACKR3PPARAPPARDLCK
SCHEMBL3400900 0.85 CHRM4 (0.54) CHRM4ACKR3PPARAPPARDLCK
SCHEMBL3400884 0.85 CHRM4 (0.54) CHRM4ACKR3PPARAPPARDLCK
SCHEMBL3402294 0.84 CHRM4 (0.56) CHRM4ACKR3PPARAPPARDLCK
SCHEMBL3401250 0.84 PDE2A (0.47) CHRM4PPARAPPARDPANK3HTR2C
SCHEMBL3405526 0.84 PPARD (0.53) CHRM4ACKR3PPARAPPARDCHRM3
SCHEMBL3400106 0.84 ACKR3 (0.52) CHRM4ACKR3PPARAPPARDLCK
SCHEMBL3405595 0.83 PDE2A (0.47) CHRM4PPARAPPARDPANK3HTR2C
SCHEMBL3404854 0.83 DRD2 (0.52) ACKR3PPARAPPARD
SCHEMBL3402461 0.83 CHRM4 (0.55) CHRM4ACKR3PPARAPPARDLCK

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 3 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