SCHEMBL9739413

SCHEMBL9739413

O=C1CCc2cc(CCN3CCC(c4onc5cc(F)ccc45)CC3)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.53
DRD2 P14416 14/20 0.53
HTR2A P28223 13/20 0.53
HRH3 Q9Y5N1 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HTR6 P50406 3/20 0.43
HTR2C P28335 3/20 0.43
DRD3 P35462 3/20 0.43
DRD4 P21917 2/20 0.43
HTR7 P34969 2/20 0.43
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
KCNH2 Q12809 2/20 0.42
SLC22A2 O15244 1/20 0.42
CACNA1F O60840 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL9522190 0.92 HTR1A (0.53) HTR1ADRD2HTR2AHRH3SLC6A4
SCHEMBL9131492 0.85 DRD2 (0.60) HTR1ADRD2HTR2AHRH3SLC6A4
Water SCHEMBL9318473 0.84 DRD2 (0.59) HTR1ADRD2HTR2AHRH3SLC6A4
SCHEMBL9133222 0.77 DRD2 (0.61) HTR1ADRD2HTR2AHRH3SLC6A4
SCHEMBL8786866 0.74 ACHE (0.50) DRD2HTR2ASLC6A4HTR7KCNH2
SCHEMBL8506902 0.74 ACHE (0.50) HTR1ADRD2HTR2AHRH3SLC6A4
SCHEMBL7420789 0.74 KCNH2 (0.49) HTR1ADRD2HTR2ASLC6A4SLC6A2
SCHEMBL5328181 0.73 DRD2 (0.75) HTR1ADRD2HTR2AHRH3SLC6A4
SCHEMBL8789450 0.73 DRD2 (0.42) HTR1ADRD2HTR2AHRH3SLC6A4
SCHEMBL8789335 0.73 ACHE (0.47) HTR1ADRD2HTR2ASLC6A4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992008718-A1 4-(1,2-BENZISOXAZOLYL)PIPERIDINE ANTIPSYCHOTIC AGENTS PFIZER INC. (US) 1992-05-29 WO claimed