SCHEMBL5781108

SCHEMBL5781108

CCN1CCC(O)(c2ccccc2C(O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.36
▸ OPRD1 P41143 9/20 0.36
▸ OPRK1 P41145 9/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ OPRL1 P41146 8/20 0.34
▸ ABCB1 P08183 4/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 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
SCHEMBL4975958 0.85 L3MBTL1 (0.45) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL4976000 0.72 IDO1 (0.35) ALDH1A1MEN1KMT2AOPRL1
SCHEMBL19285362 0.71 CYP3A4 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL23670336 0.71 CYP3A4 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL19285846 0.71 CYP3A4 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL7247963 0.70 RIPK1 (0.45) L3MBTL1
SCHEMBL24312400 0.68 CYP2D6 (0.38) KMT2AL3MBTL1
SCHEMBL6158503 0.67 CYP3A4 (0.37) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL8044669 0.67 OPRL1 (0.56) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL16225420 0.67 CYP3A4 (0.34) OPRM1OPRD1OPRK1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 — — EP disclosed
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 — — WO disclosed
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