SCHEMBL9518996

SCHEMBL9518996

O=c1[nH]c(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.55
DRD2 P14416 7/20 0.55
HTR2A P28223 7/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
DRD1 P21728 3/20 0.54
HTR2C P28335 3/20 0.54
HTR3A P46098 2/20 0.54
SLC6A4 P31645 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
SCHEMBL9521102 0.89 HTR1A (0.48) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9519156 0.80 HTR1A (0.58) HTR1ADRD2HTR2A
SCHEMBL4891426 0.78 HTR1A (0.75) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9519864 0.77 HTR2A (0.61) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9522185 0.76 HTR1A (0.54) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9518927 0.75 HTR1A (0.67) HTR1ADRD2HTR2AADRA1ADRD1
SCHEMBL11793860 0.75 HTR1A (0.65) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9519161 0.75 HTR1A (0.55) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9520442 0.74 HTR2A (0.53) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9520607 0.74 HTR1A (0.56) HTR1ADRD2HTR2AADRA1ADRD1

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