SCHEMBL28079957

SCHEMBL28079957

OC1(c2ncccn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
OPRL1 P41146 4/20 0.36
OPRK1 P41145 3/20 0.33
OPRD1 P41143 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HDAC8 Q9BY41 2/20 0.31
PDK2 Q15119 1/20 0.31
HSP90AA1 P07900 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL23216476 0.90 HRH3 (0.38) OPRM1OPRL1OPRK1OPRD1HRH3
SCHEMBL2586838 0.84 ALDH1A1 (0.44) OPRM1OPRL1
SCHEMBL743233 0.82 MEN1 (0.36) OPRM1OPRL1
SCHEMBL29971918 0.77 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL18128230 0.75 OPRM1 (0.33) OPRM1OPRL1HRH3PDK2
SCHEMBL13920507 0.74 OPRM1 (0.34) OPRM1OPRL1OPRK1OPRD1HRH3
SCHEMBL27466823 0.72 APLNR (0.35) OPRM1OPRL1OPRK1PDK2
SCHEMBL24455261 0.70 OPRM1 (0.60) OPRM1OPRL1OPRK1OPRD1HRH3
SCHEMBL4813101 0.69 OPRM1 (0.41) OPRM1OPRL1HRH3GRIN2B
Hydrochloric Acid SCHEMBL2588318 0.68 OPRM1 (0.40) OPRM1OPRL1HRH3

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
WO-2024249642-A1 EGFR INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2024-12-05 WO disclosed
CN-105814022-B Condensed bicyclic heteroaromatic derivative as TNF active regulators UCB生物制药私人有限公司 2018-09-28 CN disclosed
CN-105814054-B Condensed imidazole and pyrazole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-09-25 CN disclosed
CN-107787319-A Indazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2018-03-09 CN disclosed
CN-105814054-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814022-A Fused bicyclic heteroaromatic derivatives as modulators of tnf activity UCB生物制药私人有限公司 2016-07-27 CN disclosed