SCHEMBL29283140

SCHEMBL29283140

CC(C)(C)N1CCC(N=[N+]=[N-])CC1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ HTT P42858 1/20 0.33

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
SCHEMBL29283139 0.76 ABCB1 (0.39) —
SCHEMBL6027066 0.76 TACR1 (0.48) HTT
SCHEMBL582167 0.73 LTA4H (0.38) HTT
SCHEMBL24774805 0.72 DAGLA (0.43) —
SCHEMBL28625821 0.71 DAGLA (0.47) —
SCHEMBL27570095 0.70 CNR2 (0.31) —
SCHEMBL27511890 0.70 CNR2 (0.35) —
SCHEMBL22959569 0.67 SLC6A2 (0.40) —
SCHEMBL22966395 0.67 SLC6A2 (0.40) —
SCHEMBL20963070 0.66 PIK3CA (0.42) —

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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