SCHEMBL9053002

SCHEMBL9053002

CCCC(=O)c1ccc(N2CCC(O)(c3ccccc3OC)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
SLC6A1 P30531 1/20 0.47
SLC6A12 P48065 1/20 0.47
SLC6A11 P48066 1/20 0.47
SLC6A13 Q9NSD5 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
HTR1A P08908 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 3/20 0.44
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CHRM4 P08173 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL9055176 0.85 DRD2 (0.43) OPRM1OPRD1OPRK1OPRL1HTR1A
SCHEMBL9055896 0.85 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1HTR1A
SCHEMBL9052627 0.84 DRD2 (0.57) OPRM1OPRD1OPRK1OPRL1HTR1A
SCHEMBL9051252 0.84 HDAC1 (0.43) HTR1AKMT2AMEN1DRD2ALDH1A1
SCHEMBL9051793 0.84 DRD2 (0.47) OPRM1OPRD1OPRK1OPRL1HTR1A
SCHEMBL9055744 0.82 HPGD (0.49) HTR1ADRD2ALDH1A1MAPT
SCHEMBL9052131 0.81 DRD2 (0.42) SIGMAR1HTR1AKMT2AMEN1DRD2
SCHEMBL8986025 0.81 DRD2 (0.56) OPRM1OPRD1OPRK1OPRL1HTR1A
SCHEMBL9052477 0.81 HTR1A (0.45) HTR1AKMT2AMEN1POLBDRD2
SCHEMBL9052266 0.80 MEN1 (0.58) SIGMAR1HTR1AKMT2AMEN1POLB

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-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed