SCHEMBL10834571

SCHEMBL10834571

Cc1ccccc1N1CCN(CCCN2C(=O)c3cc(Cl)c(S(N)(=O)=O)cc3C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.52
DRD3 P35462 6/20 0.52
DRD4 P21917 3/20 0.52
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
CA2 P00918 1/20 0.47
NFKB1 P19838 1/20 0.47
CA7 P43166 1/20 0.47
PMP22 Q01453 1/20 0.47
HTR1A P08908 3/20 0.47

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
SCHEMBL10835778 0.88 DRD2 (0.68) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL10835725 0.86 HTR1A (0.63) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL10835753 0.86 DRD2 (0.69) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL10835535 0.85 DRD3 (0.47) DRD2DRD3ADRA1BALDH1A1MEN1
SCHEMBL10834873 0.83 TRPV4 (0.49)
SCHEMBL10835523 0.82 HTR1A (0.58) DRD2DRD3DRD4LMNAHTR1A
SCHEMBL10835924 0.81 DRD2 (0.71) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL10835272 0.80 DRD2 (0.54) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL10834596 0.80 DRD2 (0.54) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL10836439 0.78 DRD2 (0.50) DRD2ALDH1A1MEN1KMT2AMAPT

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-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 US disclosed