SCHEMBL3400862

SCHEMBL3400862

CCN(CC)CCN(C)C(=O)c1sc(-c2cccc(N(C)C)c2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
TRPM8 Q7Z2W7 3/20 0.46
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 3/20 0.41
HPGD P15428 2/20 0.41
GPR52 Q9Y2T5 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3399741 0.89 TRPM8 (0.50) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3404304 0.87 KMT2A (0.61) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3403618 0.87 TRPM8 (0.48) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3400834 0.87 TRPM8 (0.46) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3404127 0.86 HTR2C (0.49) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3398358 0.86 KMT2A (0.48) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3402390 0.85 HTR2C (0.46) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3404513 0.85 HTR2C (0.46) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3397100 0.85 HTR2C (0.46) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3405267 0.85 ALDH1A1 (0.63) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1

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