SCHEMBL27608978

SCHEMBL27608978

Cc1ccc2c(c1)N(CCCCl)C(C=O)O2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ THRB P10828 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ TP53 P04637 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27609187 0.90 CREBBP (0.34) NISCH
SCHEMBL27590541 0.84 NISCH (0.32) NISCHMAPT
SCHEMBL27590556 0.84 NISCH (0.36) ATMALDH1A1NISCHCYP3A4MAPT
SCHEMBL27590506 0.82 NPC1 (0.32) TSHRNPSR1LMNASMN1; SMN2TP53
SCHEMBL27934603 0.80 L3MBTL1 (0.37) TSHRLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL27609039 0.79 LMNA (0.32) LMNA
SCHEMBL27608930 0.78 NPC1 (0.32) NPSR1LMNASMN1; SMN2TP53
SCHEMBL27590551 0.77 GRIA1 (0.31) —
SCHEMBL27590539 0.76 GSK3B (0.33) ALDH1A1
SCHEMBL27609127 0.76 NISCH (0.32) NISCH

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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