SCHEMBL9520828

SCHEMBL9520828

Nc1nc(-c2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.59
HTR7 P34969 1/20 0.59
HTR2A P28223 4/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
DRD2 P14416 3/20 0.55
KCNH2 Q12809 1/20 0.55
DRD3 P35462 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
SCHEMBL9521839 0.93 HTR2A (0.69) HTR1AHTR7HTR2AHTR2CHTR2B
SCHEMBL9519431 0.89 HTR1A (0.58) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL6105283 0.84 HTR1A (0.70) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL9520859 0.83 HTR1A (0.60) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL9519238 0.83 HTR2A (0.55) HTR1AHTR7HTR2AHTR2CHTR2B
SCHEMBL10845693 0.81 HTR1A (0.72) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL9519864 0.81 HTR2A (0.61) HTR1AHTR2AHTR2CHTR2BDRD2
SCHEMBL13533147 0.80 HTR1A (0.65) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL9519156 0.79 HTR1A (0.58) HTR1AHTR7HTR2ADRD2KCNH2
SCHEMBL13533153 0.78 HTR1A (0.65) HTR1AHTR7HTR2ADRD2KCNH2

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