SCHEMBL9518927

SCHEMBL9518927

O=c1[nH]c(-c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.67
HTR2C P28335 3/20 0.67
DRD2 P14416 4/20 0.65
HTR2A P28223 2/20 0.65
SIGMAR1 Q99720 2/20 0.62
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
MTOR P42345 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL8785701 0.80 HTR1A (1.00) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL9519068 0.78 ALDH1A1 (0.69) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL3454609 0.78 SIGMAR1 (1.00) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL9518868 0.77 SIGMAR1 (0.62) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL3976547 0.77 ALDH1A1 (1.00) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL31513986 0.77 ALDH1A1 (1.00) HTR1AHTR2CDRD2HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL15263292 0.76 ALDH1A1 (0.98) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL9518996 0.75 HTR1A (0.55) HTR1AHTR2CDRD2HTR2ADRD1
SCHEMBL10900911 0.75 SIGMAR1 (0.76) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL9521505 0.75 DRD2 (0.64) HTR1AHTR2CDRD2HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279598-B1 ARYLPIPERAZINYL-ALKYLENE-PHENYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1993-09-15 EP claimed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP claimed
EP-0279598-B1 ARYLPIPERAZINYL-ALKYLENE-PHENYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1993-09-15 EP disclosed
US-4891375-A Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1990-01-02 US disclosed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP disclosed