SCHEMBL11468585

SCHEMBL11468585

CCN1CCC(C(C)=O)(c2ccccc2Oc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.51
OPRM1 P35372 3/20 0.51
OPRD1 P41143 3/20 0.51
CCR8 P51685 6/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
OPRL1 P41146 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL11479599 0.89 OPRK1 (0.50) OPRK1OPRM1OPRD1CCR8ALDH1A1
SCHEMBL11468366 0.86 OPRL1 (0.44) OPRK1OPRM1OPRL1
SCHEMBL11468367 0.86 SCN1A (0.48) OPRK1OPRM1OPRD1ALDH1A1GAA
Oxalic Acid SCHEMBL11470262 0.84 KDM2B (0.44) OPRK1OPRM1OPRL1
Oxalic Acid SCHEMBL11468650 0.84 SCN1A (0.46) OPRK1OPRM1OPRD1ALDH1A1KDM4E
SCHEMBL11478230 0.83 OPRL1 (0.48) OPRK1OPRM1OPRD1OPRL1
SCHEMBL11470298 0.81 OTUD7B (0.47) ALDH1A1GAATSHRRECQLLMNA
SCHEMBL11470732 0.81 SLC18A3 (0.51) ALDH1A1
SCHEMBL11477208 0.79 SIGMAR1 (0.44) OPRM1CCR8KCNH2
SCHEMBL11479586 0.78 SLC18A3 (0.56) ALDH1A1

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-4198417-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed