SCHEMBL7947126

SCHEMBL7947126

CCC(CC)n1nnc2c(Oc3c(C)cc(C)cc3C)nc(C)nc21

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.41

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
SCHEMBL5866781 0.81 CRHR1 (0.48) CRHR1
SCHEMBL5866731 0.80 CRHR1 (0.44) CRHR1
SCHEMBL5866851 0.78 CRHR1 (0.40) CRHR1
SCHEMBL7480702 0.76 CRHR1 (0.52) CRHR1
SCHEMBL8202018 0.71 CRHR1 (0.56) CRHR1
SCHEMBL20733330 0.71 CRHR1 (0.48) CRHR1
SCHEMBL7830712 0.70 CRHR1 (0.45) CRHR1
SCHEMBL7945728 0.70 CRHR1 (0.37) CRHR1
SCHEMBL8194048 0.70 CRHR1 (0.52) CRHR1
SCHEMBL7019686 0.68 CRHR1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124300-A Aryloxy- and arylthio- fused pyridines and pyrimidines and derivatives DUPONT PHARMACEUTICALS (US) 2000-09-26 US claimed
US-6258809-B1 NERVOUS SYSTEM DISORDERS, ANTIDEPRESSANTS AND PSYCHIATRY DUPONT PHARMACEUTICALS COMPANY 2001-07-10 US disclosed
US-6124300-A Aryloxy- and arylthio- fused pyridines and pyrimidines and derivatives DUPONT PHARMACEUTICALS (US) 2000-09-26 US disclosed