SCHEMBL29283139

SCHEMBL29283139

CC(C)(C)N1CCC(O)CC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL6027066 0.82 TACR1 (0.48) ABCB1
SCHEMBL11729674 0.80 CA1 (0.41) —
SCHEMBL582167 0.79 LTA4H (0.38) ABCB1
SCHEMBL24774805 0.78 DAGLA (0.43) —
SCHEMBL28625821 0.77 DAGLA (0.47) —
SCHEMBL29283140 0.76 NPBWR1 (0.34) —
SCHEMBL7860307 0.75 NR1H2 (0.52) ABCB1
SCHEMBL8923537 0.75 NR1H2 (0.52) ABCB1
SCHEMBL7860304 0.75 NR1H2 (0.52) ABCB1
SCHEMBL13722390 0.75 TACR1 (0.46) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113395996-B Arginase inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2024-05-28 — — CN disclosed
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