SCHEMBL9366133

SCHEMBL9366133

CC1C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C1C

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.60
DRD2 P14416 12/20 0.60
HTR1A P08908 10/20 0.60
KCNH2 Q12809 9/20 0.60
HTR7 P34969 1/20 0.60

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
SCHEMBL9366415 0.86 HTR2A (0.70) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL9366449 0.86 HTR2A (0.70) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6219065 0.86 HTR2A (0.70) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6224447 0.86 HTR2A (0.60) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6219902 0.85 PARP1 (0.44) HTR2ADRD2HTR1AKCNH2HTR7
Hydrochloric Acid SCHEMBL9366678 0.85 HTR2A (0.68) HTR2ADRD2HTR1AKCNH2HTR7
Hydrochloric Acid SCHEMBL9367301 0.85 HTR2A (0.68) HTR2ADRD2HTR1AKCNH2HTR7
Hydrochloric Acid SCHEMBL9366488 0.85 HTR2A (0.68) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6220739 0.85 HTR2A (0.70) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6219645 0.82 HTR2A (0.56) HTR2ADRD2HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409435-B1 Heteroaryl piperazine antipsychotic agents PFIZER (US) 1994-10-26 EP disclosed
US-5350747-A Heteroaryl piperazine antipsychotic agents PFIZER INC (US) 1994-09-27 US disclosed