SCHEMBL9683465

SCHEMBL9683465

CNCCN1C2c3ccccc3C1c1sccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 12/20 0.33
PRMT6 Q96LA8 12/20 0.33
HTR2A P28223 4/20 0.33
HRH1 P35367 4/20 0.33
KDM4E B2RXH2 3/20 0.32
TP53 P04637 2/20 0.32
CHRM2 P08172 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CHRM1 P11229 2/20 0.32
DRD2 P14416 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
CHRM3 P20309 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2C P28335 2/20 0.32
ADRA1A P35348 2/20 0.32
DRD3 P35462 2/20 0.32
THPO P40225 2/20 0.32
HTR2B P41595 2/20 0.32

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
SCHEMBL9684632 0.92 SLC6A2 (0.36) HTR2AHRH1KDM4ETP53CHRM2
SCHEMBL9683453 0.80 OPRM1 (0.35) SLC6A2SLC6A3OPRM1
SCHEMBL9684167 0.78 ALDH1A1 (0.31)
SCHEMBL9684133 0.77 CYP2D6 (0.38) HTR2AHRH1KDM4ETP53CHRM2
SCHEMBL9683338 0.77 POLB (0.34) KDM4ETP53CYP3A4CYP2D6MEN1
SCHEMBL9682581 0.74 HTT (0.35) KDM4ESLC6A2SLC6A3
SCHEMBL9684243 0.74 CHRM2 (0.37) TP53CHRM2HSD17B10KMT2ACHRM4
SCHEMBL9684281 0.73 OPRM1 (0.37) OPRM1SIGMAR1
SCHEMBL9684260 0.72 DUT (0.33)
SCHEMBL9682616 0.68 KDM1A (0.46) HTR2AHRH1DRD2ADRA2CSLC6A2

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
EP-0475187-A1 Naphthothiophenimines for treating neuronal disorders caused by ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 1992-03-18 EP disclosed