SCHEMBL9367248

SCHEMBL9367248

CC1CC(=O)N(C)c2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.68
DRD2 P14416 12/20 0.68
HTR1A P08908 9/20 0.59
KCNH2 Q12809 8/20 0.59
HTR7 P34969 1/20 0.59

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
SCHEMBL6750987 0.91 HTR2A (0.61) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6748037 0.88 HTR2A (0.58) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6744476 0.88 DRD2 (0.57) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL4884339 0.87 HTR1A (0.61) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6748875 0.86 HTR2A (0.56) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6746157 0.86 HTR2A (0.57) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6744944 0.86 HTR2A (0.56) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6751034 0.85 HTR2A (0.55) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6747860 0.84 HTR2A (0.54) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL9366415 0.84 HTR2A (0.70) HTR2ADRD2HTR1AKCNH2HTR7

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-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
WO-1991000863-A1 HETEROARYL PIPERAZINE ANTIPSYCHOTIC AGENTS PFIZER INC. (US) 1991-01-24 WO disclosed