SCHEMBL8411972

SCHEMBL8411972

CCCN1C(N2CCN(c3ccc(OC)cc3)CC2)C2(OCCO2)c2ccccc2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
HTR1A P08908 3/20 0.42
HTR7 P34969 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD4 P21917 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 2/20 0.37
HTR1D P28221 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL8411966 0.91 DRD2 (0.47) DRD2HTR1AHTR7MAPTALDH1A1
SCHEMBL8410575 0.89 HTR7 (0.38) DRD2HTR1AHTR7MAPK1DRD4
SCHEMBL8519203 0.89 DRD2 (0.39) DRD2HTR1AHTR7MAPTDRD4
SCHEMBL8413058 0.89 HTR7 (0.36) DRD2HTR7MAPTDRD4ALDH1A1
SCHEMBL8412316 0.86 MEN1 (0.39) DRD2MAPTMAPK1DRD4ALDH1A1
SCHEMBL8411551 0.86 MEN1 (0.39) DRD2HTR1AHTR7MAPTDRD4
SCHEMBL8413390 0.85 ADRB1 (0.37) HTR7ALDH1A1
SCHEMBL8412315 0.83 HTR7 (0.39) DRD2HTR1AHTR7DRD4LMNA
SCHEMBL8413215 0.83 HTR1A (0.38) DRD2HTR1AHTR7MAPTPKM
SCHEMBL8410568 0.82 HSD17B10 (0.38) DRD2HTR1AHTR7ALDH1A1LMNA

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-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed