SCHEMBL6949178

SCHEMBL6949178

CCC(CO)Oc1cc(C)nc2ccc(-c3c(C)cc(C)cc3C)cc12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.43
KDM4E B2RXH2 1/20 0.39
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6637915 0.93 CRHR1 (0.49) CRHR1
SCHEMBL6951812 0.85 CRHR1 (0.40) CRHR1
SCHEMBL6951432 0.84 CRHR1 (0.39) CRHR1
SCHEMBL6950666 0.77 CRHR1 (0.42) CRHR1KDM4E
SCHEMBL5599813 0.76 CRHR1 (0.53) CRHR1KDM4E
SCHEMBL6638659 0.74 CRHR1 (0.48) CRHR1KDM4E
SCHEMBL6955172 0.70 CRHR1 (0.48) CRHR1
SCHEMBL25831210 0.69 PDE3B (0.42) CRHR1KDM4E
SCHEMBL5600092 0.68 CRHR1 (0.57) CRHR1
SCHEMBL6634034 0.67 SYK (0.38)

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
EP-0977737-B1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP claimed