SCHEMBL10698888

SCHEMBL10698888

NC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.79
DRD3 P35462 6/20 0.79
SIGMAR1 Q99720 4/20 0.79
LMNA P02545 1/20 0.79
CCR1 P32246 3/20 0.72
HTR1A P08908 4/20 0.65
DRD1 P21728 4/20 0.65
DRD5 P21918 4/20 0.65
SLC6A2 P23975 4/20 0.65
HTR2A P28223 4/20 0.65
SLC6A4 P31645 4/20 0.65
HTR7 P34969 4/20 0.65
HRH1 P35367 4/20 0.65
HTR2B P41595 4/20 0.65
SLC6A3 Q01959 2/20 0.62
MEN1 O00255 1/20 0.61
CACNA1F O60840 1/20 0.61
KCNK2 O95069 1/20 0.61
ABCB11 O95342 1/20 0.61
CYP1A2 P05177 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
SCHEMBL904905 0.88 DRD2 (0.83) DRD2DRD3SIGMAR1LMNACCR1
Hydroxyhaloperidol SCHEMBL4540106 0.88 DRD2 (1.00) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL9105624 0.84 CCR1 (1.00) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL904900 0.82 DRD2 (0.72) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL11792972 0.82 DRD2 (0.88) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL11604166 0.81 DRD2 (0.71) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL27945065 0.80 DRD2 (0.66) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL4060617 0.79 DRD2 (1.00) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL8010420 0.78 DRD2 (0.72) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL11932477 0.78 CCR1 (0.69) DRD2DRD3SIGMAR1LMNACCR1

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
EP-0260070-A1 The acetic acid ester of haloperidol and pharmaceutical compositions thereof H. LUNDBECK A/S (DK) 1988-03-16 EP disclosed