SCHEMBL9519254

SCHEMBL9519254

c1ccc2c(N3CCN(CCCCc4ccc(-c5csnn5)cc4)CC3)nsc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
ADRA1D P25100 2/20 0.56
ADRA1B P35368 2/20 0.56
HTR1A P08908 3/20 0.52
HTR7 P34969 2/20 0.52
DRD2 P14416 1/20 0.52
HTR6 P50406 1/20 0.52
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL9520859 0.93 HTR1A (0.60) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL9521839 0.84 HTR2A (0.69) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL9519238 0.83 HTR2A (0.55) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL9520607 0.79 HTR1A (0.56) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL6103732 0.78 HTR1A (0.61) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL9520828 0.77 HTR1A (0.59) HTR2AHTR1AHTR7DRD2DRD3
SCHEMBL9519431 0.76 HTR1A (0.58) HTR2AHTR1AHTR7DRD2KCNH2
SCHEMBL10845693 0.75 HTR1A (0.72) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL10843227 0.74 HTR2A (0.67) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL7285152 0.74 HTR2A (0.67) HTR2AADRA1DADRA1BHTR1AHTR7

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