SCHEMBL9366288

SCHEMBL9366288

O=C1CCCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2N1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.62
HTR2A P28223 10/20 0.62
DRD2 P14416 6/20 0.62
HTR7 P34969 3/20 0.62
HTR6 P50406 2/20 0.62
KCNH2 Q12809 8/20 0.60
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
ABCB11 O95342 1/20 0.60
PGR P06401 1/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
MAPT P10636 1/20 0.60
CHRM1 P11229 1/20 0.60
GOT1 P17174 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD1 P21728 1/20 0.60
DRD4 P21917 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
SCHEMBL9367026 0.94 HTR2A (0.69) HTR1AHTR2ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL9367191 0.93 HTR2A (0.67) HTR1AHTR2ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL9367186 0.93 HTR2A (0.67) HTR1AHTR2ADRD2HTR7HTR6
SCHEMBL4885467 0.90 HTR1A (0.74) HTR1AHTR2ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL7099059 0.89 KCNH2 (0.73) HTR1AHTR2ADRD2HTR7HTR6
SCHEMBL9367357 0.86 HTR2A (0.82) HTR1AHTR2ADRD2HTR7HTR6
SCHEMBL5764327 0.84 HTR1A (0.67) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL9371546 0.83 HTR1A (0.61) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL9367264 0.83 HTR1A (0.58) HTR1AHTR2ADRD2HTR7HTR6
Water SCHEMBL7416199 0.83 KCNH2 (0.67) HTR1AHTR2ADRD2HTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409435-B1 Heteroaryl piperazine antipsychotic agents PFIZER (US) 1994-10-26 EP claimed
US-5350747-A Heteroaryl piperazine antipsychotic agents PFIZER INC (US) 1994-09-27 US claimed
WO-1991000863-A1 HETEROARYL PIPERAZINE ANTIPSYCHOTIC AGENTS PFIZER INC. (US) 1991-01-24 WO claimed
EP-0409435-A1 Heteroaryl piperazine antipsychotic agents PFIZER INC. (US) 1991-01-23 EP claimed
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
EP-0409435-A1 Heteroaryl piperazine antipsychotic agents PFIZER INC. (US) 1991-01-23 EP disclosed