SCHEMBL11386170

SCHEMBL11386170

CNC1CCC2(CC1)O[C@H](c1ccc(Cl)cc1)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.41
▸ PRCP P42785 8/20 0.41
▸ OPRD1 P41143 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ L3MBTL4 Q8NA19 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11386167 1.00 TMEM97 (0.41) TMEM97PRCPOPRD1KCNH2L3MBTL4
Hydrochloric Acid SCHEMBL11322106 0.99 PRCP (0.40) TMEM97PRCPOPRD1KCNH2L3MBTL4
SCHEMBL11326244 0.91 OPRD1 (0.46) TMEM97PRCPOPRD1KCNH2
SCHEMBL11326247 0.91 OPRD1 (0.46) TMEM97PRCPOPRD1KCNH2
Hydrochloric Acid SCHEMBL11330675 0.90 OPRD1 (0.46) TMEM97PRCPOPRD1KCNH2
Hydrochloric Acid SCHEMBL11331866 0.90 OPRD1 (0.46) TMEM97PRCPOPRD1KCNH2
SCHEMBL11318496 0.89 PRCP (0.42) TMEM97PRCPOPRD1KCNH2
SCHEMBL11318500 0.89 PRCP (0.42) TMEM97PRCPOPRD1KCNH2
SCHEMBL11329553 0.82 HTR2A (0.43) TMEM97PRCPOPRD1KCNH2
SCHEMBL11335083 0.82 HTR2A (0.43) TMEM97PRCPOPRD1KCNH2

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 claimed
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