SCHEMBL7681011

SCHEMBL7681011

CCC(=O)c1ccc(N(CC)c2nc(C)cc(C)n2)c(SC)c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.80
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7678546 0.89 CRHR1 (1.00) CRHR1
SCHEMBL7684479 0.86 CRHR1 (0.77) CRHR1LMNAMAPTNPSR1
SCHEMBL7687788 0.80 CRHR1 (0.73) CRHR1
SCHEMBL7680507 0.79 CRHR1 (0.70) CRHR1
SCHEMBL7678545 0.79 CRHR1 (0.74) CRHR1
SCHEMBL7680877 0.78 CRHR1 (0.70) CRHR1
SCHEMBL7687162 0.78 CRHR1 (0.70) CRHR1
SCHEMBL7684621 0.77 CRHR1 (1.00) CRHR1
SCHEMBL9049311 0.76 CRHR1 (1.00) CRHR1
SCHEMBL7680810 0.76 CRHR1 (0.67) CRHR1

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 6 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
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