SCHEMBL9520607

SCHEMBL9520607

O=c1[nH]c(-c2ccc(CCCCN3CCN(c4nsc5ccccc45)CC3)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.56
DRD2 P14416 2/20 0.56
HTR2A P28223 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
LMNA P02545 1/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL9519156 0.93 HTR1A (0.58) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9521839 0.80 HTR2A (0.69) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9519238 0.80 HTR2A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9519254 0.79 HTR2A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6103732 0.77 HTR1A (0.61) HTR1ADRD2HTR2AHTR7HTR6
Water SCHEMBL7416199 0.75 KCNH2 (0.67) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6222565 0.75 HTR1A (0.59) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6105849 0.75 SIGMAR1 (0.60) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9518996 0.74 HTR1A (0.55) HTR1ADRD2HTR2ADRD1SLC6A4
SCHEMBL13533143 0.74 HTR1A (0.66) HTR1ADRD2HTR2AHTR7HTR6

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