SCHEMBL9052152

SCHEMBL9052152

O=C(CCCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.64
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SIGMAR1 Q99720 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
DRD3 P35462 2/20 0.52
CCR5 P51681 1/20 0.50
ADRA1A P35348 2/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL9050871 0.92 DRD2 (0.67) DRD2SIGMAR1OPRM1OPRK1DRD3
SCHEMBL9052433 0.86 DRD2 (0.68) DRD2DRD3ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL11553970 0.85 DRD2 (0.67) DRD2SIGMAR1HTR7
SCHEMBL9052603 0.79 DRD2 (0.71) DRD2SIGMAR1OPRM1OPRK1DRD3
SCHEMBL8986029 0.78 DRD2 (1.00) DRD2SIGMAR1OPRM1OPRK1DRD3
SCHEMBL27739798 0.78 MEN1 (0.56) DRD2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9052577 0.78 DRD2 (0.63) DRD2DRD3ADRA1AADRA1DADRA1B
SCHEMBL7689578 0.77 OPRL1 (0.63) SIGMAR1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL27830596 0.77 KMT2A (0.55) DRD2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9052143 0.77 OPRM1 (0.48) NPC1CASP3RAB9ASENP8SENP7

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