SCHEMBL7684489

SCHEMBL7684489

CCOC(=O)c1csc(C)c1N(CC)c1nc(C)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 1/20 0.43
CRHR1 P34998 5/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
IKBKB O14920 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7678556 0.86 CRHR1 (0.45) CRHR1HTTLMNAALDH1A1HCRTR1
SCHEMBL7681022 0.85 CRHR1 (0.40) CRHR1HTTALDH1A1HCRTR1HCRTR2
SCHEMBL7687167 0.77 CRHR1 (0.44) CRHR1
SCHEMBL7687796 0.77 CRHR1 (0.46) CRHR1
SCHEMBL7680889 0.76 CRHR1 (0.55) CRHR1
SCHEMBL7681108 0.75 CRHR1 (0.58) CRHR1
SCHEMBL7684631 0.73 CRHR1 (0.49) CRHR1
SCHEMBL7680766 0.73 CRHR1 (0.48) CRHR1
SCHEMBL7682033 0.72 CRHR1 (0.42) CRHR1
SCHEMBL7677752 0.71 CRHR1 (0.41) CRHR1HTTALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US claimed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP claimed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO claimed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed