SCHEMBL9300786

SCHEMBL9300786

C=CCOc1ccccc1OCC(O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
ABCB1 P08183 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A3 Q01959 3/20 0.46
CACNA1F O60840 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
HRH2 P25021 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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 0.87 MEN1 (0.53) MAPTABCB1MEN1KMT2AUSP2
SCHEMBL10379764 0.84 L3MBTL1 (0.62) MAPTABCB1MEN1KMT2AHTT
SCHEMBL9300738 0.82 HTR7 (0.50) MAPTABCB1MEN1KMT2AUSP2
SCHEMBL9193205 0.82 L3MBTL1 (0.59) MAPTABCB1MEN1KMT2ACYP2D6
SCHEMBL9187274 0.82 MAPT (0.60) MAPTABCB1MEN1KMT2AUSP2
SCHEMBL9301397 0.79 MAPT (0.57) MAPTABCB1MEN1KMT2ACYP2D6
SCHEMBL9271436 0.78 CACNA1G (0.67) MAPTMEN1KMT2A
SCHEMBL9300891 0.78 TSHR (0.64) MAPTABCB1MEN1KMT2AUSP2
SCHEMBL9301602 0.78 TSHR (0.64) MAPTABCB1MEN1KMT2AUSP2
SCHEMBL9189672 0.77 CACNA1G (0.60) MAPTTP53ABCB1MEN1KMT2A

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 3 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
EP-0435902-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE. BASF AG (DE) 1991-07-10 EP 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