SCHEMBL7684970

SCHEMBL7684970

C=CCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1Br

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.65

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
SCHEMBL7678011 0.84 CRHR1 (0.81) CRHR1
SCHEMBL7686582 0.84 CRHR1 (0.79) CRHR1
SCHEMBL17237477 0.81 CRHR1 (0.62) CRHR1
SCHEMBL7687688 0.80 CRHR1 (0.46) CRHR1
SCHEMBL7678068 0.80 CRHR1 (0.61) CRHR1
SCHEMBL7687291 0.80 CRHR1 (0.63) CRHR1
SCHEMBL17237480 0.79 CRHR1 (0.66) CRHR1
SCHEMBL7681029 0.79 CRHR1 (0.68) CRHR1
Hydrochloric Acid SCHEMBL17237479 0.79 CRHR1 (0.61) CRHR1
SCHEMBL7681122 0.77 CRHR1 (0.47) 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
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US claimed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed