Sugi Predict

Sugi Predict / Compounds / SCHEMBL8671981

SCHEMBL8671981

SCHEMBL8671981

[CH2]CCCN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.65
▸ HTR1A P08908 2/20 0.65
▸ DRD2 P14416 1/20 0.65
▸ HTR7 P34969 1/20 0.65
▸ HTR6 P50406 1/20 0.65
▸ ADRA1D P25100 2/20 0.63
▸ ADRA1B P35368 2/20 0.63
▸ LMNA P02545 1/20 0.61
▸ CHRM2 P08172 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ DRD1 P21728 1/20 0.61
▸ TBXA2R P21731 1/20 0.61
▸ SLC6A2 P23975 1/20 0.61
▸ SLC6A4 P31645 1/20 0.61
▸ ADRA1A P35348 1/20 0.61
▸ OPRM1 P35372 1/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61

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
SCHEMBL30515499 0.88 HTR2A (0.67) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL25335774 0.88 HTR2A (0.67) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL7771353 0.86 HTR2A (0.65) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL6185115 0.86 HTR2A (0.65) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL792909 0.86 HTR2A (0.65) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL7285152 0.85 HTR2A (0.67) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL10843227 0.85 HTR2A (0.67) HTR2AHTR1ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL2215669 0.85 HTR2A (0.64) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL11634905 0.85 HTR1A (0.64) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL792872 0.83 HTR2A (0.66) HTR2AHTR1ADRD2HTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2121986-A — — None — — JP disclosed
CN-1050604-C Compound with antipsychotic effect MEIJI SEIKA KABUSHIKA KAISHA (JP) 2000-03-22 — — CN disclosed
US-5801186-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-09-01 — — US disclosed
EP-0364091-B1 ANTIPSYCHOTIC 4-(4-(3-BENZISOTHIAZOLYL)-1-PIPERAZINYL)BUTYL BRIDGED BICYCLIC IMIDES PFIZER INC. (US) 1993-07-28 — — EP disclosed
EP-0364091-B1 ANTIPSYCHOTIC 4-(4-(3-BENZISOTHIAZOLYL)-1-PIPERAZINYL)BUTYL BRIDGED BICYCLIC IMIDES PFIZER INC. (US) 1993-07-28 — — EP disclosed
US-5077295-A ANTIPSYCHOIC 4-(4-(3-BENZISOTHIAZOLYL)-1-PIPERAZINYL)BUYTL BRIDGED BICYCLE IMIDES PFIZER INC. (US) 1991-12-31 — — US disclosed
US-5077295-A ANTIPSYCHOIC 4-(4-(3-BENZISOTHIAZOLYL)-1-PIPERAZINYL)BUYTL BRIDGED BICYCLE IMIDES PFIZER INC. (US) 1991-12-31 — — US disclosed
JP-H02121986-A ANTIPSYCHOTIC 4-(4-(3-BENZISOTHIAZOLYL)-1-PIPERAZINYL)BUTYL CROSSLINKED BICYCLIC IMIDE PFIZER INC 1990-05-09 — — JP disclosed
EP-0364091-A1 Antipsychotic 4-(4-(3-benzisothiazolyl)-1-piperazinyl)butyl bridged bicyclic imides PFIZER INC. (US) 1990-04-18 — — EP disclosed
WO-1990002552-A1 ANTIPSYCHOTIC 4-[4-(3-BENZISOTHIAZOLYL)-1-PIPERAZINYL]BUTYL BRIDGED BICYCLIC IMIDES PFIZER INC. (US) 1990-03-22 — — WO disclosed
WO-1990002552-A1 ANTIPSYCHOTIC 4-[4-(3-BENZISOTHIAZOLYL)-1-PIPERAZINYL]BUTYL BRIDGED BICYCLIC IMIDES PFIZER INC. (US) 1990-03-22 — — WO disclosed
WO-1990002552-A1 ANTIPSYCHOTIC 4-[4-(3-BENZISOTHIAZOLYL)-1-PIPERAZINYL]BUTYL BRIDGED BICYCLIC IMIDES PFIZER INC. (US) 1990-03-22 — — WO disclosed