SCHEMBL11681373

SCHEMBL11681373

NN1CCC2(CC1)OC(c1ccccc1)c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ SIGMAR1 Q99720 6/20 0.45
▸ PRCP P42785 3/20 0.44
▸ OPRM1 P35372 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ ADRA2A P08913 1/20 0.42
▸ SLC18A3 Q16572 2/20 0.41
▸ EBPL Q9BY08 1/20 0.41
▸ EBP Q15125 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
SCHEMBL11682895 0.85 KCNH2 (0.57) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11684960 0.85 OPRD1 (0.57) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11884181 0.85 OPRD1 (0.57) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11681814 0.82 OPRD1 (0.54) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11858736 0.82 OPRD1 (0.54) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11684907 0.81 SIGMAR1 (0.70) OPRD1SIGMAR1PRCPOPRM1OPRK1
SCHEMBL11880458 0.81 OPRD1 (0.53) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11368769 0.81 OPRD1 (0.52) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11840739 0.80 OPRD1 (0.51) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11851978 0.80 KCNH2 (0.52) OPRD1KCNH2SIGMAR1PRCPOPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4024263-A ANALGESIC, ANTICONVULSANT, ANTIDEPRESSANT AMERICAN HOECHST CORPORATION (US) 1977-05-17 — — US claimed
US-4024263-A ANALGESIC, ANTICONVULSANT, ANTIDEPRESSANT AMERICAN HOECHST CORPORATION (US) 1977-05-17 — — US disclosed
Send feedback