SCHEMBL8401622

SCHEMBL8401622

N=C(N)N(c1cccc2c1Cc1ccccc1-2)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4986073 0.79 EPHX2 (0.36) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL8843240 0.75 SIGMAR1 (0.41)
SCHEMBL4982302 0.74 EPHX2 (0.37) PNMTNPC1RAB9A
SCHEMBL4982318 0.73 SIGMAR1 (0.39) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL8401612 0.71 KDM4E (0.35)
SCHEMBL4982722 0.71 NPC1 (0.50) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL17710462 0.70 PNMT (0.45) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL4984321 0.69 NPC1 (0.51) PNMTNPC1RAB9A
SCHEMBL4393647 0.67 PNMT (0.42) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL1477601 0.67 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A

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
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed