SCHEMBL7979473

SCHEMBL7979473

CCCC(CCC)Nc1nc(C)nc2[nH]c(-c3ccc(Cl)cc3Cl)c(Br)c12

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.47
CNR1 P21554 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
SCHEMBL6850975 0.71 CRHR1 (0.48) CRHR1
SCHEMBL7220186 0.67 CRHR1 (0.57) CRHR1
SCHEMBL7214595 0.64 CRHR1 (0.47) CRHR1
SCHEMBL5415552 0.63 CRHR1 (0.66) CRHR1
SCHEMBL5412276 0.62 CRHR1 (0.80) CRHR1
SCHEMBL6430137 0.62 CRHR1 (0.64) CRHR1
SCHEMBL1922440 0.60 CRHR1 (0.56) CRHR1
SCHEMBL6701255 0.60 CRHR1 (0.55) CRHR1CNR1
SCHEMBL6774955 0.60 CRHR1 (0.55) CRHR1
SCHEMBL6775219 0.59 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001087885-A1 CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2001-11-22 WO disclosed