SCHEMBL7684537

SCHEMBL7684537

CCN(c1nc(C)cc(N2CCOCC2)n1)c1ccc(C(C)C)cc1I

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.79
KMT2A Q03164 1/20 0.44

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
SCHEMBL8047863 0.91 CRHR1 (0.65) CRHR1KMT2A
SCHEMBL7682642 0.89 CRHR1 (0.62) CRHR1KMT2A
SCHEMBL7684973 0.88 CRHR1 (1.00) CRHR1
SCHEMBL7678394 0.88 CRHR1 (0.63) CRHR1
SCHEMBL7687345 0.88 CRHR1 (0.63) CRHR1KMT2A
SCHEMBL7680397 0.84 CRHR1 (0.56) CRHR1
SCHEMBL9045095 0.84 CRHR1 (0.59) CRHR1KMT2A
SCHEMBL7682651 0.82 CRHR1 (0.68) CRHR1
SCHEMBL7678178 0.82 CRHR1 (0.57) CRHR1KMT2A
SCHEMBL8047865 0.81 CRHR1 (0.55) CRHR1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

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