SCHEMBL9518921

SCHEMBL9518921

Nc1nc(-c2ccc(CCCCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.73
HTR2C P28335 6/20 0.73
HTR2B P41595 1/20 0.73
HTR1A P08908 9/20 0.48
DRD2 P14416 8/20 0.48
HTR7 P34969 3/20 0.48
DRD3 P35462 3/20 0.48
DRD4 P21917 1/20 0.48
DRD1 P21728 3/20 0.48
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
HTR3A P46098 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL9519864 0.93 HTR2A (0.61) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL9522185 0.82 HTR1A (0.54) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL9522030 0.82 HTR2A (0.53) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL9519268 0.82 HTR2A (0.53) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL9521839 0.82 HTR2A (0.69) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL9520442 0.79 HTR2A (0.53) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL9519273 0.78 HTR1A (0.75) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL9520731 0.77 HTR2C (0.74) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL9373235 0.77 SIGMAR1 (0.63) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL9519161 0.76 HTR1A (0.55) HTR2AHTR2CHTR1ADRD2DRD1

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 3 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 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