SCHEMBL19236299

SCHEMBL19236299

CN(C)C(=O)CCN1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.62
ADRA1A P35348 3/20 0.62
OPRM1 P35372 4/20 0.60
MEN1 O00255 3/20 0.60
ADRB2 P07550 3/20 0.60
ADRA2A P08913 3/20 0.60
DRD4 P21917 3/20 0.60
SLC6A4 P31645 3/20 0.60
HTR2B P41595 3/20 0.60
SLC6A3 Q01959 3/20 0.60
KMT2A Q03164 3/20 0.60
SIGMAR1 Q99720 3/20 0.60
LMNA P02545 2/20 0.60
OPRD1 P41143 2/20 0.60
OPRK1 P41145 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ABCB11 O95342 2/20 0.60
CYP1A2 P05177 2/20 0.60
CHRM2 P08172 2/20 0.60
ABCB1 P08183 2/20 0.60

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
SCHEMBL7510130 0.82 DRD2 (0.59) DRD2ADRA1AOPRM1MEN1ADRB2
SCHEMBL14307260 0.81 CCR3 (0.69) DRD2ADRA1AOPRM1SLC6A4HTR2B
SCHEMBL20254427 0.80 DRD2 (0.74) DRD2ADRA1AOPRM1MEN1ADRB2
SCHEMBL10287607 0.80 OPRM1 (0.63) DRD2ADRA1AOPRM1SLC6A4HTR2B
Chlorohaloperidol SCHEMBL4112719 0.76 DRD2 (1.00) DRD2ADRA1AOPRM1MEN1ADRB2
SCHEMBL11938907 0.76 DRD2 (0.65) DRD2ADRA1ASLC6A4HTR2BSLC6A3
SCHEMBL9051774 0.76 DRD2 (1.00) DRD2ADRA1AOPRM1MEN1ADRB2
Loperamide SCHEMBL8409779 0.76 OPRM1 (1.00) DRD2ADRA1AOPRM1MEN1ADRB2
Loperamide SCHEMBL28530 0.76 OPRM1 (1.00) DRD2ADRA1AOPRM1MEN1ADRB2
Loperamide SCHEMBL12387663 0.76 OPRM1 (1.00) DRD2ADRA1AOPRM1MEN1ADRB2

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-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed