SCHEMBL11401469

SCHEMBL11401469

C[C@H]1OC2(CCC(N(C)C)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 6/20 0.47
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SIGMAR1 Q99720 4/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ ADRA2A P08913 1/20 0.35

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
SCHEMBL11401467 1.00 TMEM97 (0.47) TMEM97HTR2AHTR2CHRH1HTR2B
Hydrochloric Acid SCHEMBL11321319 0.98 TMEM97 (0.46) TMEM97HTR2AHTR2CHRH1HTR2B
SCHEMBL12622887 0.84 TMEM97 (0.40) TMEM97SIGMAR1OPRM1ADRA2A
SCHEMBL11323060 0.84 TMEM97 (0.46) TMEM97HTR2AHTR2CHRH1HTR2B
SCHEMBL26011230 0.81 SIGMAR1 (0.42) TMEM97SIGMAR1ADRA2A
SCHEMBL11323825 0.81 OPRD1 (0.46) TMEM97HTR2AHTR2CHRH1HTR2B
SCHEMBL11323828 0.81 OPRD1 (0.46) TMEM97HTR2AHTR2CHRH1HTR2B
SCHEMBL11323983 0.80 TMEM97 (0.44) TMEM97HTR2AHTR2CHRH1HTR2B
SCHEMBL11323986 0.80 TMEM97 (0.44) TMEM97HTR2AHTR2CHRH1HTR2B
SCHEMBL29190477 0.79 TMEM97 (0.41) TMEM97SIGMAR1ADRA2A

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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