SCHEMBL7025868

SCHEMBL7025868

CNCCc1cccc(COCCN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.48
L3MBTL1 Q9Y468 4/20 0.43
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GLS O94925 1/20 0.38
PDK2 Q15119 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
PPARA Q07869 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL7026061 0.85 ACHE (0.50) ACHECHRM2CHRM1CHRM3TAAR1
SCHEMBL7018101 0.84 L3MBTL1 (0.46) ACHEL3MBTL1GLSPDK2PPARA
SCHEMBL23420055 0.81 L3MBTL1 (0.46) L3MBTL1PDK2TAAR1
SCHEMBL7024522 0.81 L3MBTL1 (0.44) L3MBTL1GLSPDK2
SCHEMBL16993182 0.81 L3MBTL1 (0.62) L3MBTL1PDK2PPARAHDAC3HDAC1
SCHEMBL7027971 0.76 F2 (0.48)
SCHEMBL18739284 0.75 CA14 (0.36) L3MBTL1PDK2HDAC1HDAC2
SCHEMBL3010204 0.74 DRD2 (0.49) ACHE
SCHEMBL31505912 0.74 DRD2 (0.49) ACHE
SCHEMBL31541772 0.74 L3MBTL1 (0.49) L3MBTL1GLSPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed