SCHEMBL3644580

SCHEMBL3644580

CCCCOC(=O)NC(C(=O)O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 3/20 0.47
ATM Q13315 1/20 0.46
GPR132 Q9UNW8 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CHRNA7 P36544 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FAAH O00519 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL11491274 0.86 ATM (0.60) L3MBTL1LMNAATMNPC1RAB9A
SCHEMBL1461981 0.86 ATM (0.60) L3MBTL1LMNAATMNPC1RAB9A
SCHEMBL7442595 0.84 L3MBTL1 (0.53) L3MBTL1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5498527 0.83 L3MBTL1 (0.50) L3MBTL1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL6121618 0.82 GPR132 (0.50) ATMGPR132SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL15430174 0.82 GPR132 (0.50) ATMGPR132SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18620868 0.80 ATM (0.60) LMNAATMGPR132SMN1; SMN2KMT2A
SCHEMBL18620872 0.80 ATM (0.60) LMNAATMGPR132SMN1; SMN2KMT2A
SCHEMBL11612621 0.79 ATM (0.77) ATMGPR132KMT2AALDH1A1TSHR
SCHEMBL5498526 0.79 GPR132 (0.52) L3MBTL1GPR132CHRNA7FAAH

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-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed