SCHEMBL8178987

SCHEMBL8178987

CCC(CC1CC1)Nc1nc(C)nc2c1sc(=O)n2-c1c(C)cc(C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.56

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
SCHEMBL8174266 0.79 CRHR1 (0.62) CRHR1
SCHEMBL7560074 0.76 CRHR1 (0.53) CRHR1
SCHEMBL7554809 0.76 CRHR1 (0.56) CRHR1
SCHEMBL7557846 0.73 CRHR1 (0.52) CRHR1
SCHEMBL8181519 0.70 CRHR1 (0.62) CRHR1
SCHEMBL8173614 0.69 CRHR1 (1.00) CRHR1
SCHEMBL5844127 0.69 CRHR1 (0.55) CRHR1
SCHEMBL5844390 0.69 CRHR1 (0.84) CRHR1
SCHEMBL8174395 0.67 CRHR1 (0.60) CRHR1
SCHEMBL7554299 0.67 CRHR1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107294-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US claimed
US-6107294-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed