SCHEMBL27590555

SCHEMBL27590555

COc1ccc2c(c1)OC(C=O)N2CCCBr

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ CYP19A1 P11511 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ NQO2 P16083 1/20 0.30

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
SCHEMBL27609197 0.80 SLC2A1 (0.34) HRH3KCNH2CYP3A4ALDH1A1LMNA
SCHEMBL27590523 0.79 BCHE (0.30) —
SCHEMBL27590556 0.78 NISCH (0.36) MTNR1AATMHRH3KCNH2CYP3A4
SCHEMBL27609187 0.71 CREBBP (0.34) —
SCHEMBL27590551 0.69 GRIA1 (0.31) —
SCHEMBL27590539 0.68 GSK3B (0.33) ALDH1A1HTT
SCHEMBL27590701 0.68 NISCH (0.32) —
SCHEMBL27590506 0.65 NPC1 (0.32) LMNAHTT
SCHEMBL27608930 0.64 NPC1 (0.32) LMNA
SCHEMBL27629689 0.64 MTNR1A (0.32) MTNR1AALDH1A1

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-1561212-A Benzimidazolone Derivatives as Muscarinic Agents ACADIA PHARM INC (US) 2005-01-05 — — CN disclosed
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