SCHEMBL6979741

SCHEMBL6979741

CCN(c1nc(C)cc(N2CCC(O)(c3cccc(Cl)c3)CC2)n1)c1ccc(C(C)C)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 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
SCHEMBL6979544 0.83 CRHR1 (0.67) CRHR1
SCHEMBL6980405 0.83 CRHR1 (0.67) CRHR1
Hydrochloric Acid SCHEMBL6985057 0.79 CRHR1 (0.62) CRHR1
SCHEMBL7684973 0.78 CRHR1 (1.00) CRHR1
SCHEMBL6986689 0.78 CRHR1 (0.81) CRHR1
SCHEMBL7687005 0.76 CRHR1 (0.77) CRHR1
Hydrochloric Acid SCHEMBL8451419 0.74 CRHR1 (0.70) CRHR1
SCHEMBL7678011 0.73 CRHR1 (0.81) CRHR1
SCHEMBL6984017 0.73 CRHR1 (0.75) CRHR1
Hydrochloric Acid SCHEMBL6986992 0.73 CRHR1 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976745-B1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-08-13 EP disclosed
US-6187781-B1 CORTICOTROPIN RELEASING FACTOR RECEPTOR ANTAGONISTS; ALZHEIMER*S, HUNTINGTON, AND PARKINSON DISEASE; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-02-13 US disclosed
EP-0976745-A1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-02 EP disclosed