SCHEMBL22997003

SCHEMBL22997003

Clc1ccc(-c2nc(C3CCOCC3)n3c2CNC=C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.38
▸ FAAH O00519 12/20 0.36
▸ MAPK11 Q15759 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ TNK2 Q07912 1/20 0.33
▸ PSD A5PKW4 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
SCHEMBL22997165 0.81 PSD (0.37) SLC2A1FAAHMAPK11MAPK14PSD
SCHEMBL22997321 0.78 TRPA1 (0.43) SLC2A1
SCHEMBL22997641 0.72 CYP1A2 (0.35) —
SCHEMBL2434998 0.66 GAA (0.47) SLC2A1TNK2
SCHEMBL22996995 0.65 ALDH1A1 (0.36) MAPK11MAPK14
SCHEMBL1304002 0.62 FAAH (0.48) SLC2A1FAAH
SCHEMBL22997451 0.61 — —
SCHEMBL14875394 0.60 GAA (0.46) TNK2
SCHEMBL25247362 0.58 HTR3A (0.48) SLC2A1
SCHEMBL16305593 0.58 TRPA1 (0.44) SLC2A1

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
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 — — EP disclosed
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