SCHEMBL11518591

SCHEMBL11518591

CCN=C(N)N1CCc2[nH]cnc2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL31595886 0.77 NAMPT (0.37) AKT1HTR2C
SCHEMBL11518308 0.77 TMPRSS2 (0.42) AKT1HTR2C
SCHEMBL11515901 0.73 MEN1 (0.43) AKT1HTR2C
SCHEMBL11515494 0.73 BAZ2B (0.43) AKT1HTR2C
SCHEMBL11517246 0.73 NPSR1 (0.47) HTR2C
SCHEMBL1994788 0.72 NAMPT (0.38) AKT1HTR2C
SCHEMBL11514216 0.71 ALDH1A1 (0.39)
SCHEMBL4154205 0.70 ENPP2 (0.36) AKT1HTR2C
SCHEMBL6423555 0.70 HRH4 (0.39) HTR2C
SCHEMBL11517525 0.70 AOC3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed