SCHEMBL5774297

SCHEMBL5774297

Cc1nc(C)c(NC(=O)c2ccccc2)c(O)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
PKM P14618 1/20 0.50
P2RX3 P56373 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.44
KCNMA1 Q12791 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL5771744 0.88 MAPT (0.53) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL11004845 0.85 TP53 (0.46) NPC1RAB9APKMP2RX3KMT2A
SCHEMBL5772960 0.82 KMT2A (0.52) NPC1RAB9APKMP2RX3KMT2A
SCHEMBL5773133 0.82 KDM4E (0.51) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL654802 0.76 KDM4E (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL653766 0.76 KMT2A (0.51) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2623094 0.75 ADORA1 (0.60) NPC1RAB9APKMKMT2AMEN1
SCHEMBL2623093 0.75 L3MBTL1 (0.64) NPC1RAB9APKMKMT2AMEN1
SCHEMBL27908094 0.73 MEN1 (0.62) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2610466 0.72 HPGD (0.54) NPC1RAB9APKMP2RX3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed