SCHEMBL28188540

SCHEMBL28188540

CC(C(=O)C(C)N1CCC(C(=O)c2ccc(O)nc2)CC1)N1CCC(C(=O)c2ccc(O)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.41
▸ SLC18A3 Q16572 4/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36

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
SCHEMBL28188541 0.85 MGLL (0.40) MGLLSLC18A3MEN1KMT2AFAAH
SCHEMBL28853734 0.84 SLC18A3 (0.57) MGLLSLC18A3POLBHSD11B1
SCHEMBL18228597 0.80 MEN1 (0.48) MGLLSLC18A3MEN1KMT2APOLB
SCHEMBL28188447 0.79 SLC18A3 (0.54) MGLLSLC18A3
SCHEMBL27968954 0.73 KDM2B (0.52) MEN1KMT2APOLB
SCHEMBL28853725 0.70 SMYD3 (0.44) MGLLPOLBHSD11B1
SCHEMBL28853735 0.69 SLC18A3 (0.55) SLC18A3POLBHSD11B1
SCHEMBL12030680 0.67 KMT2A (0.65) MGLLMEN1KMT2APOLBHSD11B1
SCHEMBL9220605 0.67 CHRNB2 (0.49) MGLLSLC18A3KMT2AHTR1F
SCHEMBL7408128 0.66 HSD11B1 (0.63) MGLLPOLBHSD11B1

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-107635986-A Substituted quinoxaline derivatives 赛尔维他股份公司 2018-01-26 — — CN disclosed
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