SCHEMBL9054069

SCHEMBL9054069

CCCN(CC1CC1)c1ncnc2c(-c3c(C)cc(C)cc3C)c(Br)n(S(C)(=O)=O)c12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.41
S1PR1 P21453 4/20 0.35

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
SCHEMBL7561611 0.86 CRHR1 (0.46) CRHR1
SCHEMBL7569784 0.80 CRHR1 (0.48) CRHR1
SCHEMBL7569873 0.77 CRHR1 (0.45) CRHR1
SCHEMBL7569867 0.76 CRHR1 (0.44) CRHR1
SCHEMBL7562809 0.75 CRHR1 (0.47) CRHR1
SCHEMBL9054071 0.73 CDK1 (0.31)
SCHEMBL7571087 0.68 CRHR1 (0.47) CRHR1
SCHEMBL7564260 0.63 CRHR1 (0.47) CRHR1
SCHEMBL7222251 0.63 CRHR1 (0.79) CRHR1
SCHEMBL7564259 0.62 CRHR1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996035689-A1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-11-14 WO disclosed