SCHEMBL9366195

SCHEMBL9366195

CCN1C(=O)CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.59
HTR7 P34969 1/20 0.59
HTR2A P28223 11/20 0.57
KCNH2 Q12809 11/20 0.57
DRD2 P14416 7/20 0.57

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
Hydrochloric Acid SCHEMBL4885489 0.91 HTR1A (0.59) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL9752486 0.91 HTR1A (0.63) HTR1AHTR7HTR2AKCNH2DRD2
Hydrochloric Acid SCHEMBL9752511 0.89 HTR1A (0.61) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL9371546 0.85 HTR1A (0.61) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL6747665 0.85 HTR1A (0.56) HTR1AHTR7HTR2AKCNH2DRD2
Water SCHEMBL7412300 0.85 HTR1A (0.54) HTR1AHTR7HTR2ADRD2
SCHEMBL9370054 0.85 HTR2A (0.63) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL6750987 0.83 HTR2A (0.61) HTR1AHTR7HTR2AKCNH2DRD2
Hydrochloric Acid SCHEMBL7412767 0.83 HTR1A (0.62) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL6404395 0.82 HTR1A (0.64) HTR1AHTR7HTR2AKCNH2DRD2

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 7 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-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