SCHEMBL11424749

SCHEMBL11424749

CN(C(=O)Oc1ccccc1)C1CCC2(CC1)O[C@H](c1ccc(F)cc1)c1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.37
▸ LSS P48449 2/20 0.36
▸ PRCP P42785 3/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TACR3 P29371 3/20 0.34
▸ ACHE P22303 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ FAAH O00519 1/20 0.33

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
SCHEMBL11398898 0.93 TMEM97 (0.39) TMEM97LSSPRCPOPRD1KCNH2
SCHEMBL11401507 0.91 LSS (0.45) TMEM97LSSPRCPOPRD1KCNH2
SCHEMBL11387453 0.85 TMEM97 (0.38) TMEM97LSSACHEOPRM1SIGMAR1
SCHEMBL11328342 0.81 HTR2A (0.42) TMEM97PRCPOPRD1KCNH2
SCHEMBL11323073 0.81 HTR2A (0.42) TMEM97PRCPOPRD1KCNH2
SCHEMBL11321439 0.80 SIGMAR1 (0.44) TMEM97OPRD1KCNH2OPRM1SIGMAR1
Oxalic Acid SCHEMBL11322198 0.78 DRD2 (0.39) TMEM97SIGMAR1
SCHEMBL11391165 0.75 DRD2 (0.40) TMEM97LSSKCNH2OPRM1SIGMAR1
SCHEMBL11369641 0.74 DRD2 (0.43) TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL11326699 0.74 DRD2 (0.39) TMEM97SIGMAR1

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-4263317-A Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]s HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1981-04-21 — — US disclosed
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