SCHEMBL14530329

SCHEMBL14530329

COc1ccc2c(c1)C(C(=O)O)OC21CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.63
▸ ADRA2A P08913 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ EBP Q15125 1/20 0.50
▸ SLC18A3 Q16572 1/20 0.50

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
SCHEMBL25358883 0.84 SIGMAR1 (0.74) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL5315520 0.77 SIGMAR1 (1.00) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL30623345 0.77 SIGMAR1 (1.00) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL25358545 0.74 SIGMAR1 (0.70) SIGMAR1ADRA2AOPRM1OPRK1EBP
Hydrochloric Acid SCHEMBL20955046 0.74 SIGMAR1 (0.67) SIGMAR1
SCHEMBL11860134 0.73 PRCP (0.52) SIGMAR1ADRA2AOPRM1OPRK1
SCHEMBL6820101 0.73 SIGMAR1 (0.68) SIGMAR1
SCHEMBL11859734 0.73 SIGMAR1 (0.57) SIGMAR1L3MBTL1
SCHEMBL25361546 0.73 MEN1 (0.47) SIGMAR1ADRA2A
SCHEMBL26005046 0.73 MEN1 (0.47) SIGMAR1ADRA2A

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
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 — — WO disclosed
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