SCHEMBL7687174

SCHEMBL7687174

CCN(c1nc(C)cc(N2CCOCC2)n1)c1ccc(CCOC)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.68
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAPEPLD Q6IQ20 1/20 0.41
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
PIK3CB P42338 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL9046910 0.91 CRHR1 (0.72) CRHR1KMT2ASMN1; SMN2PKMTSHR
SCHEMBL8047865 0.89 CRHR1 (0.55) CRHR1KMT2ASMN1; SMN2NAPEPLDPKM
SCHEMBL7684973 0.81 CRHR1 (1.00) CRHR1
SCHEMBL7678178 0.79 CRHR1 (0.57) CRHR1KMT2ASMN1; SMN2PKMTSHR
SCHEMBL9045095 0.79 CRHR1 (0.59) CRHR1KMT2ASMN1; SMN2NAPEPLDPKM
SCHEMBL9047393 0.77 CRHR1 (0.55) CRHR1
SCHEMBL7683421 0.76 CRHR1 (0.52) CRHR1KMT2AHTT
SCHEMBL7687345 0.74 CRHR1 (0.63) CRHR1KMT2ASMN1; SMN2PKMTSHR
SCHEMBL9046520 0.73 CRHR1 (0.50) CRHR1KMT2A
SCHEMBL7683371 0.73 CRHR1 (0.58) CRHR1KMT2ASMN1; SMN2PKMTSHR

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 disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed