SCHEMBL9519238

SCHEMBL9519238

Cc1nc(-c2ccc(CCCCN3CCN(c4nsc5ccccc45)CC3)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
HTR1A P08908 2/20 0.51
HTR7 P34969 2/20 0.51
DRD2 P14416 1/20 0.51
HTR6 P50406 1/20 0.51
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL9519431 0.93 HTR1A (0.58) HTR2AHTR1AHTR7DRD2
SCHEMBL9521839 0.90 HTR2A (0.69) HTR2AHTR2CHTR2BHTR1AHTR7
SCHEMBL9519254 0.83 HTR2A (0.56) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL9520828 0.83 HTR1A (0.59) HTR2AHTR2CHTR2BHTR1AHTR7
SCHEMBL9520607 0.80 HTR1A (0.56) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL6103732 0.77 HTR1A (0.61) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL9520859 0.76 HTR1A (0.60) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL10843227 0.75 HTR2A (0.67) HTR2AHTR1AHTR7DRD2HTR6
SCHEMBL9522185 0.75 HTR1A (0.54) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL10845693 0.74 HTR1A (0.72) HTR2AHTR1AHTR7DRD2HTR6

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