SCHEMBL11870073

SCHEMBL11870073

CC1OC2(CCN(CC3CC3)CC2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL13366481 0.85 SIGMAR1 (0.51) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL11870243 0.82 OPRD1 (0.52) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL3403111 0.81 SIGMAR1 (0.72) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL2360466 0.81 SIGMAR1 (0.72) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL2360468 0.81 SIGMAR1 (0.72) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL11864088 0.80 SIGMAR1 (0.54) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL14650822 0.77 PRCP (0.64) SIGMAR1
SCHEMBL12622887 0.76 TMEM97 (0.40) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL13337793 0.76 CYP2D6 (0.44) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL19689049 0.75 SIGMAR1 (0.42) SIGMAR1ADRA2AOPRM1OPRD1OPRK1

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-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 — — US claimed
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