SCHEMBL9416485

SCHEMBL9416485

OC(CNCc1ccccc1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.OC(CNc1ccccc1)CN1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A4 P31645 2/20 0.45
ACHE P22303 2/20 0.42
IGF1R P08069 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
DNM1 Q05193 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8612798 0.87 IGF1R (0.53) SLC6A3DRD2DRD4DRD3SLC6A4
SCHEMBL7755959 0.87 SLC6A3 (0.50) SLC6A3DRD2DRD4DRD3SLC6A4
Hydrochloric Acid SCHEMBL7543310 0.86 SLC6A3 (0.49) SLC6A3DRD2DRD4DRD3SLC6A4
SCHEMBL7754375 0.85 IGF1R (0.55) SLC6A3DRD2DRD3SLC6A4ACHE
Hydrochloric Acid SCHEMBL7548578 0.84 IGF1R (0.54) SLC6A3DRD2DRD3SLC6A4ACHE
SCHEMBL7751327 0.83 SLC6A3 (0.54) SLC6A3DRD2DRD4DRD3SLC6A4
Hydrochloric Acid SCHEMBL7544797 0.83 SLC6A3 (0.53) SLC6A3DRD2DRD4DRD3SLC6A4
SCHEMBL4760958 0.81 CYP3A4 (0.51) SLC6A3DRD2DRD4DRD3SLC6A4
SCHEMBL8616378 0.81 CYP3A4 (0.51) SLC6A3DRD2DRD4DRD3SLC6A4
SCHEMBL8615736 0.81 CYP3A4 (0.51) SLC6A3DRD2DRD4DRD3SLC6A4

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-0612738-A1 Diphenylpiperazine derivative and drug for circulatory organ containing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 1994-08-31 EP disclosed