SCHEMBL7687623

SCHEMBL7687623

Cc1cc(C)nc(N(C)c2ccc(C(C)(C)C)cc2Br)n1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.45

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
SCHEMBL7687275 0.87 CRHR1 (0.43) CRHR1
SCHEMBL7680552 0.82 CRHR1 (0.67) CRHR1
SCHEMBL8033081 0.81 CRHR1 (0.46) CRHR1
SCHEMBL7680765 0.81 CRHR1 (0.46) CRHR1
SCHEMBL7680583 0.76 CRHR1 (0.56) CRHR1
SCHEMBL7680278 0.76 CRHR1 (0.48) CRHR1
SCHEMBL13990752 0.76 SMN1; SMN2 (0.39) CRHR1
SCHEMBL12015335 0.75 CYP1A2 (0.40)
SCHEMBL9047853 0.74 CRHR1 (0.46) CRHR1
SCHEMBL28420661 0.73 ALDH1A1 (0.40)

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 5 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
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed