SCHEMBL9300738

SCHEMBL9300738

N#Cc1ccccc1OCC(O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
HTR1A P08908 2/20 0.50
SLC6A3 Q01959 4/20 0.47
CACNA1F O60840 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
HRH2 P25021 2/20 0.47
ADRA1D P25100 2/20 0.47
HTR2A P28223 2/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47
ADRA1B P35368 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
HTR5A P47898 2/20 0.47
HTR6 P50406 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47
CACNA1C Q13936 2/20 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
SCHEMBL9301048 0.85 MEN1 (0.53) ADRA1ADRD3ABCB1MEN1KMT2A
SCHEMBL10379764 0.84 L3MBTL1 (0.62) ABCB1MEN1KMT2AHTTALDH1A1
SCHEMBL9300786 0.82 MAPT (0.48) HTR7SLC6A3CACNA1FDRD1DRD4
SCHEMBL9193205 0.82 L3MBTL1 (0.59) ABCB1MEN1KMT2AALDH1A1MAPT
SCHEMBL9187274 0.82 MAPT (0.60) ABCB1MEN1KMT2AUSP2ALDH1A1
SCHEMBL9301397 0.79 MAPT (0.57) ABCB1MEN1KMT2AALDH1A1MAPT
SCHEMBL14417535 0.78 HTR1A (0.60) HTR7HTR1AABCB1MEN1KMT2A
SCHEMBL9271436 0.78 CACNA1G (0.67) MEN1KMT2AMAPT
SCHEMBL9300891 0.78 TSHR (0.64) HTR7SLC6A3CACNA1FDRD1DRD5
SCHEMBL9301602 0.78 TSHR (0.64) HTR7SLC6A3CACNA1FDRD1DRD5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342839-A Useful for therapy of oxygen deficiency diseases of the brain BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
WO-1990003371-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE BASF AKTIENGESELLSCHAFT (DE) 1990-04-05 WO disclosed