SCHEMBL29636535

SCHEMBL29636535

O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 15/20 0.79
▸ KCNH2 Q12809 5/20 0.69

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
SCHEMBL1330966 0.86 ABCB1 (1.00) ABCB1KCNH2
SCHEMBL29374303 0.85 ABCB1 (1.00) ABCB1KCNH2
SCHEMBL1330948 0.84 ABCB1 (1.00) ABCB1KCNH2
SCHEMBL8122651 0.82 KCNH2 (1.00) ABCB1KCNH2
SCHEMBL30590561 0.80 KCNH2 (1.00) ABCB1KCNH2
SCHEMBL31429551 0.80 ABCB1 (0.90) ABCB1KCNH2
SCHEMBL31619332 0.79 KCNH2 (0.85) ABCB1KCNH2
SCHEMBL8124293 0.77 ABCB1 (0.70) ABCB1KCNH2
SCHEMBL31619331 0.76 KCNH2 (0.79) ABCB1KCNH2
N-Depropyl-Propaphenone SCHEMBL15750362 0.75 KCNH2 (1.00) ABCB1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114575833-B Method, device, equipment and storage medium for predicting dynamic reserves of water-immersed gas reservoirs 中国石油天然气股份有限公司 2024-10-29 — — CN disclosed
CN-221465780-U Backlight structure capable of preventing LED lamp from falling down 深圳市天正达电子股份有限公司 2024-08-02 — — CN disclosed
CN-219978658-U Utilize soft FPC circuit board heating module 深圳市天正达电子股份有限公司 2023-11-07 — — CN disclosed
CN-114575833-A Water invasion gas reservoir dynamic reserve prediction method, device, equipment and storage medium 中国石油天然气股份有限公司 2022-06-03 — — CN disclosed
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