SCHEMBL11280783

SCHEMBL11280783

CCOC(=O)CC(O)C1(c2ccccc2)CCN(C(=O)OCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.49
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
OPRD1 P41143 7/20 0.47
OPRK1 P41145 5/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
OPRM1 P35372 4/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL22874143 0.78 APP (0.56) APPTSHRGAAOPRD1OPRK1
SCHEMBL21581202 0.77 OPRD1 (0.63) APPTSHROPRD1OPRK1OPRM1
SCHEMBL7768912 0.76 OPRM1 (0.46) APPTSHRGAAOPRM1CYP1A2
SCHEMBL11264109 0.75 OPRM1 (0.55) APPOPRD1OPRK1OPRM1LMNA
SCHEMBL8122193 0.75 OPRD1 (0.53) APPTSHRGAAOPRD1OPRK1
SCHEMBL20004190 0.74 HSD11B1 (0.60) APPTSHRGAAOPRD1OPRK1
SCHEMBL17886656 0.73 TSHR (0.54) TSHROPRD1OPRK1KDM4E
SCHEMBL20004189 0.73 APP (0.54) APPTSHRGAAOPRD1OPRK1
SCHEMBL3278422 0.72 CA12 (0.56) APPTSHROPRD1OPRK1ALDH1A1
SCHEMBL11159629 0.72 APP (0.55) APPTSHRGAAOPRD1OPRK1

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
US-4321379-A NEUROLEPTIC AGENTS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1982-03-23 US disclosed