SCHEMBL9301460

SCHEMBL9301460

OC(COc1ccc(Cl)c(Cl)c1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 9/20 0.62
KCNH2 Q12809 4/20 0.62
MAPT P10636 3/20 0.53
ATF4 P18848 3/20 0.48
TSHR P16473 1/20 0.47
HTR1A P08908 1/20 0.47
ADRB3 P13945 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 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
SCHEMBL9300865 0.91 KDM4E (0.53) CACNA1GKCNH2MAPTHRH1ALDH1A1
SCHEMBL9187274 0.90 MAPT (0.60) CACNA1GKCNH2MAPTTSHRALDH1A1
SCHEMBL9301847 0.89 CACNA1G (0.64) CACNA1GKCNH2ATF4KMT2A
SCHEMBL9271436 0.89 CACNA1G (0.67) CACNA1GKCNH2MAPTTSHRMEN1
SCHEMBL9189672 0.87 CACNA1G (0.60) CACNA1GKCNH2MAPTMEN1KMT2A
SCHEMBL9301397 0.86 MAPT (0.57) CACNA1GKCNH2MAPTTSHRALDH1A1
SCHEMBL9301630 0.86 MAPT (0.55) CACNA1GKCNH2MAPTTSHRDRD2
SCHEMBL10379764 0.85 L3MBTL1 (0.62) CACNA1GKCNH2MAPTTSHRALDH1A1
SCHEMBL9193205 0.85 L3MBTL1 (0.59) CACNA1GKCNH2MAPTTSHRALDH1A1
SCHEMBL9300891 0.85 TSHR (0.64) CACNA1GKCNH2MAPTTSHRDRD2

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