SCHEMBL3766635

SCHEMBL3766635

COCCCOc1cc(F)ccc1-c1ccc(N)nc1N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
NCF1 P14598 5/20 0.37
CYBB P04839 2/20 0.37
BACE1 P56817 1/20 0.36
HASPIN Q8TF76 1/20 0.36
CHRNA7 P36544 1/20 0.35
JAK2 O60674 1/20 0.35
FYN P06241 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL264202 0.92 MCHR1 (0.36) MCHR1CYP11B1CYP11B2NCF1CYBB
SCHEMBL23665203 0.86 MCHR1 (0.50) MCHR1CYP11B1CYP11B2NCF1CYBB
SCHEMBL263965 0.86 MCHR1 (0.43) MCHR1NCF1
SCHEMBL21223549 0.83 MCHR1 (0.42) MCHR1BACE1CHRNA7FYNSYK
SCHEMBL21222941 0.79 NCF1 (0.42) MCHR1NCF1CYBB
SCHEMBL263783 0.78 MCHR1 (0.48) MCHR1NCF1CYBBBACE1
SCHEMBL21223595 0.76 MCHR1 (0.47) MCHR1BACE1HASPINCHRNA7JAK2
SCHEMBL21223293 0.73 MCHR1 (0.57) MCHR1NCF1
SCHEMBL23665199 0.70 MCHR1 (0.48) MCHR1NCF1CYBBBACE1
SCHEMBL21223516 0.69 MCHR1 (0.46) MCHR1BACE1HASPINCHRNA7JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183241-A2 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS Pfizer Limited (GB) 2010-05-12 EP disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 WO disclosed