SCHEMBL3401033

SCHEMBL3401033

CCOc1ccc(-c2nc(C)c(C(=O)N(C)CCN(CC)CC)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.49
PPARA Q07869 1/20 0.48
MAPT P10636 5/20 0.45
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
HTR2C P28335 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
PTPN11 Q06124 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 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
SCHEMBL3405790 0.92 TARBP2 (0.47) TARBP2PPARAMAPTCDC7DBF4
SCHEMBL3404121 0.90 PPARA (0.48) TARBP2PPARAMAPTCDC7DBF4
SCHEMBL3397100 0.88 HTR2C (0.46) PPARACDC7DBF4TRPM8HTR2C
SCHEMBL13309741 0.88 RAB9A (0.56) PPARAMAPTCDC7DBF4TRPM8
SCHEMBL3405703 0.87 MCHR1 (0.52) TARBP2PPARAMAPTTRPM8HTR2C
SCHEMBL3405467 0.86 TRPM8 (0.47) PPARAMAPTCDC7DBF4TRPM8
SCHEMBL3404118 0.86 PPARA (0.57) TARBP2PPARAMAPTCDC7DBF4
SCHEMBL3400834 0.85 TRPM8 (0.46) PPARAMAPTCDC7DBF4TRPM8
SCHEMBL3405160 0.85 HTR2C (0.45) TARBP2PPARAMAPTTRPM8HTR2C
SCHEMBL3399849 0.85 TRPM8 (0.44) TARBP2PPARAMAPTCDC7DBF4

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