SCHEMBL2268574

SCHEMBL2268574

NC1CCOCC1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41
CTSV O60911 1/20 0.41
CTSS P25774 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
TACR1 P25103 3/20 0.39
BCHE P06276 2/20 0.39
DPP4 P27487 1/20 0.38
ACHE P22303 1/20 0.38
IDO1 P14902 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3502635 1.00 CTSL (0.41) CTSLCTSBCTSKCTSVCTSS
SCHEMBL1710132 1.00 CTSL (0.41) CTSLCTSBCTSKCTSVCTSS
SCHEMBL2268579 1.00 CTSL (0.41) CTSLCTSBCTSKCTSVCTSS
SCHEMBL31581402 1.00 CTSL (0.41) CTSLCTSBCTSKCTSVCTSS
Phosphoric Acid SCHEMBL31581024 0.92 PDPK1 (0.43) CTSLCTSBCTSKCTSVCTSS
SCHEMBL18580338 0.85 PSEN1 (0.42) CTSLCTSBCTSKCTSVCTSS
SCHEMBL18580336 0.85 PSEN1 (0.42) CTSLCTSBCTSKCTSVCTSS
SCHEMBL18580339 0.85 PSEN1 (0.42) CTSLCTSBCTSKCTSVCTSS
SCHEMBL18580628 0.85 PSEN1 (0.42) CTSLCTSBCTSKCTSVCTSS
SCHEMBL18580630 0.85 PSEN1 (0.42) CTSLCTSBCTSKCTSVCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952302-B Positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2020-11-24 CN disclosed
EP-2515656-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed