SCHEMBL5678980

SCHEMBL5678980

O=C1Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C12CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.61
HTR7 P34969 2/20 0.61
DRD2 P14416 8/20 0.58
HTR2A P28223 8/20 0.58
KCNH2 Q12809 7/20 0.58
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ABCB11 O95342 1/20 0.54
PGR P06401 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
MAPT P10636 1/20 0.54
CHRM1 P11229 1/20 0.54
GOT1 P17174 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
SLC6A2 P23975 1/20 0.54

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 SCHEMBL4891136 0.98 HTR1A (0.59) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL5767939 0.88 HTR1A (0.62) HTR1AHTR7DRD2HTR2AKCNH2
Hydrochloric Acid SCHEMBL4881899 0.86 HTR1A (0.60) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6790516 0.86 HTR1A (0.60) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL9367298 0.84 HTR1A (0.60) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL9367264 0.83 HTR1A (0.58) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL9367637 0.83 HTR1A (0.60) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6795599 0.81 HTR1A (0.54) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6747915 0.81 HTR1A (0.60) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL5738492 0.80 HTR1A (0.64) HTR1AHTR7DRD2HTR2AKCNH2

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-1626722-A1 METHOD FOR ENHANCING COGNITION USING ZIPRASIDONE Pfizer Products Inc. (US) 2006-02-22 EP disclosed
WO-2004100956-A1 METHOD FOR ENHANCING COGNITION USING ZIPRASIDONE PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed