SCHEMBL9820926

SCHEMBL9820926

CCCNC1c2ccccc2C2CCCCC21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.45
HTR1A P08908 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
HTR5A P47898 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
Hydrochloric Acid SCHEMBL9820718 0.98 PPIA (0.44) PPIAHTR1ASIGMAR1BCHEACHE
Hydrochloric Acid SCHEMBL9820644 0.87 PPIA (0.41) PPIABCHEACHEMEN1KMT2A
SCHEMBL10698420 0.76 PPIA (0.52) PPIAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11615288 0.76 ESR2 (0.37) PPIAHTR1ADRD2DRD4DRD3
SCHEMBL10408026 0.76 PPIA (0.49) PPIAACHESLC6A2SLC6A4CYP2D6
SCHEMBL10698583 0.73 PPIA (0.49) PPIAMEN1KMT2AALDH1A1
SCHEMBL10407009 0.73 PPIA (0.46) PPIAACHESLC6A2SLC6A4HTT
SCHEMBL9820917 0.71 HTR1A (0.45) HTR1ASIGMAR1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL9820712 0.70 HTR1A (0.44) HTR1ASIGMAR1DRD2DRD4DRD3
SCHEMBL12813351 0.69 PPIA (0.47) PPIABCHEACHEMEN1KMT2A

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-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP claimed