SCHEMBL28599365

SCHEMBL28599365

CCCC(=O)N(CCN1CCC(Oc2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.59
▸ TP53 P04637 1/20 0.49
▸ PTGIR P43119 4/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ CHRM5 P08912 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47

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
SCHEMBL28599569 0.93 TP53 (0.58) OPRM1TP53PTGIR
SCHEMBL28602839 0.92 OPRM1 (0.70) OPRM1
SCHEMBL28613676 0.88 ACHE (0.57) OPRM1PTGIRCHRM5CHRM1CHRM3
SCHEMBL28602018 0.84 OPRM1 (0.67) OPRM1PTGIR
SCHEMBL28597470 0.80 PTGIR (0.56) OPRM1PTGIR
SCHEMBL10964017 0.75 DRD2 (0.54) OPRM1CHRM1CHRM3
Hydrochloric Acid SCHEMBL10963435 0.74 DRD2 (0.53) OPRM1CHRM1CHRM3
SCHEMBL28609709 0.74 OPRM1 (0.71) OPRM1CHRM1CHRM3
SCHEMBL28602605 0.74 OPRM1 (1.00) OPRM1
Oxalic Acid SCHEMBL7327098 0.73 SSTR5 (0.51) CHRM3

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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