SCHEMBL7687345

SCHEMBL7687345

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.63
KMT2A Q03164 2/20 0.48
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
PIK3CB P42338 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7684537 0.88 CRHR1 (0.79) CRHR1KMT2A
SCHEMBL9045095 0.88 CRHR1 (0.59) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL7678178 0.86 CRHR1 (0.57) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL8047863 0.84 CRHR1 (0.65) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL8047865 0.84 CRHR1 (0.55) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL7685499 0.81 CRHR1 (0.60) CRHR1
SCHEMBL9048414 0.78 CRHR1 (0.48) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL9046910 0.77 CRHR1 (0.72) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL7684973 0.77 CRHR1 (1.00) CRHR1
SCHEMBL7682642 0.76 CRHR1 (0.62) CRHR1KMT2ACRHBPCRHR2NPSR1

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 2 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