SCHEMBL16168798

SCHEMBL16168798

CCC(c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl)N(N)CC(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.66

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
SCHEMBL13764104 0.84 CRHR1 (0.63) CRHR1
SCHEMBL3666226 0.84 CRHR1 (0.77) CRHR1
SCHEMBL3758810 0.84 CRHR1 (0.62) CRHR1
SCHEMBL3750756 0.83 CRHR1 (0.76) CRHR1
SCHEMBL3758851 0.82 CRHR1 (0.67) CRHR1
SCHEMBL3760048 0.82 CRHR1 (0.67) CRHR1
SCHEMBL3750583 0.82 CRHR1 (0.67) CRHR1
SCHEMBL3760290 0.82 CRHR1 (0.77) CRHR1
SCHEMBL3765425 0.82 CRHR1 (0.67) CRHR1
SCHEMBL3748540 0.81 CRHR1 (0.73) 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
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed