SCHEMBL4602613

SCHEMBL4602613

CC(c1ccccc1)N1CCC(O)(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 17/20 0.67
▸ OPRM1 P35372 14/20 0.67
▸ OPRD1 P41143 14/20 0.67
▸ OPRK1 P41145 14/20 0.67
▸ CHRM4 P08173 1/20 0.52
▸ CCR1 P32246 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL4602609 1.00 OPRL1 (0.67) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL6903684 0.83 CYP2D6 (0.71) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL7260277 0.83 CYP2D6 (0.71) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL6676207 0.83 CYP2D6 (0.71) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL6152032 0.83 CYP2D6 (0.71) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL6902745 0.83 CYP2D6 (0.71) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL8261399 0.82 CHRM4 (0.47) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL6151725 0.82 GRIN2B (0.50) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL6690779 0.82 GRIN2B (0.50) OPRL1OPRM1OPRD1OPRK1CHRM4
SCHEMBL6152148 0.82 GRIN2B (0.50) OPRL1OPRM1OPRD1OPRK1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979819-B1 Process for the production of substituted 3-hydroxypiperidines SPEEDEL PHARMA AG (CH) 2008-04-23 — — EP claimed
EP-0979824-B1 Process for the preparation of substituted piperidine-epoxides HOFFMANN LA ROCHE (CH) 2004-10-06 — — EP claimed
CN-1245800-A Method for preparing substituted piperidine HOFFMANN LA ROCHE (CH) 2000-03-01 — — CN claimed
CN-1245805-A Method for preparing substituted piperidine-epoxide HOFFMANN LA ROCHE (CH) 2000-03-01 — — CN claimed
EP-0979824-A1 Process for the preparation of substituted piperidine-epoxides F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 — — EP claimed
EP-0979819-A1 Process for the production of substituted 3-hydroxypiperidines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 — — EP claimed
EP-0979819-B1 Process for the production of substituted 3-hydroxypiperidines SPEEDEL PHARMA AG (CH) 2008-04-23 — — EP disclosed
EP-0979824-B1 Process for the preparation of substituted piperidine-epoxides HOFFMANN LA ROCHE (CH) 2004-10-06 — — EP disclosed
CN-1161335-C Method for preparing substituted piperidine - 2004-08-11 — — CN disclosed
CN-1111534-C Method for preparing substituted piperidine-epoxide HOFFMANN LA ROCHE (CH) 2003-06-18 — — CN disclosed
US-6274735-B1 RENIN INHIBITORS HOFFMANN-LA ROCHE INC. 2001-08-14 — — US disclosed
US-6268499-B1 USEFUL AS RENIN INHIBITORS HOFFMAN-LA ROCHE INC. 2001-07-31 — — US disclosed
CN-1245805-A Method for preparing substituted piperidine-epoxide HOFFMANN LA ROCHE (CH) 2000-03-01 — — CN disclosed
CN-1245800-A Method for preparing substituted piperidine HOFFMANN LA ROCHE (CH) 2000-03-01 — — CN disclosed
EP-0979824-A1 Process for the preparation of substituted piperidine-epoxides F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 — — EP disclosed
EP-0979819-A1 Process for the production of substituted 3-hydroxypiperidines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 — — EP disclosed
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