SCHEMBL28602018

SCHEMBL28602018

CCC(=O)N(CCN1CCC(Oc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 15/20 0.67
▸ SIGMAR1 Q99720 2/20 0.62
▸ ACHE P22303 1/20 0.55
▸ PTGIR P43119 1/20 0.54
▸ CARM1 Q86X55 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52

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
SCHEMBL28602839 0.92 OPRM1 (0.70) OPRM1SIGMAR1
SCHEMBL28599569 0.91 TP53 (0.58) OPRM1SIGMAR1PTGIRCARM1PRMT6
SCHEMBL28597470 0.88 PTGIR (0.56) OPRM1SIGMAR1ACHEPTGIRCARM1
SCHEMBL28599365 0.84 OPRM1 (0.59) OPRM1PTGIR
SCHEMBL28613676 0.81 ACHE (0.57) OPRM1ACHEPTGIRCARM1PRMT6
SCHEMBL28597364 0.80 OPRM1 (1.00) OPRM1SIGMAR1ACHE
SCHEMBL28609565 0.77 OPRM1 (0.92) OPRM1
SCHEMBL28594948 0.76 OPRM1 (0.66) OPRM1SIGMAR1ACHECARM1PRMT6
SCHEMBL28611346 0.76 OPRM1 (1.00) OPRM1
SCHEMBL28609709 0.76 OPRM1 (0.71) OPRM1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214140-B Piperidine amide derivative, pharmaceutical composition and application thereof 江苏谛奇医药科技有限公司 2022-09-09 — — CN claimed
CN-113214140-A Piperidine amide derivative, pharmaceutical composition and application thereof 江苏谛奇医药科技有限公司 2021-08-06 — — CN claimed
CN-113214140-B Piperidine amide derivative, pharmaceutical composition and application thereof 江苏谛奇医药科技有限公司 2022-09-09 — — CN disclosed
CN-113214139-B Piperidine amide derivative, preparation method thereof, pharmaceutical composition thereof, single crystal culture method thereof and application thereof 江苏谛奇医药科技有限公司 2022-03-04 — — CN disclosed
CN-113214140-A Piperidine amide derivative, pharmaceutical composition and application thereof 江苏谛奇医药科技有限公司 2021-08-06 — — CN disclosed
CN-113214139-A Piperidine amide derivative, preparation method thereof, pharmaceutical composition thereof, single crystal culture method thereof and application thereof 江苏谛奇医药科技有限公司 2021-08-06 — — CN disclosed
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