SCHEMBL3724931

SCHEMBL3724931

NC(=O)[C@H]1CCCN1c1cc(Cl)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
FPR2 P25090 6/20 0.45
SCN9A Q15858 6/20 0.45
MAT2A P31153 2/20 0.43
ELANE P08246 2/20 0.42
PIK3CA P42336 6/20 0.41
KMT2A Q03164 1/20 0.39

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
SCHEMBL1317844 1.00 LMNA (0.50) LMNACYP1A2CYP2D6MAPTFPR2
SCHEMBL3719762 0.92 LMNA (0.52) LMNACYP1A2CYP2D6MAPTFPR2
SCHEMBL3723034 0.86 LMNA (0.51) LMNACYP1A2CYP2D6MAPTFPR2
SCHEMBL13153800 0.86 LMNA (0.48) LMNACYP1A2CYP2D6MAPTFPR2
SCHEMBL1317468 0.83 CYP1A2 (0.55) LMNACYP1A2CYP2D6MAPTFPR2
SCHEMBL14743853 0.78 FPR2 (0.56) LMNAFPR2SCN9AMAT2AELANE
SCHEMBL16023889 0.78 FPR2 (0.56) LMNAFPR2SCN9AMAT2AELANE
SCHEMBL1319079 0.78 MAPT (0.51) LMNACYP1A2CYP2D6MAPTKMT2A
SCHEMBL3205548 0.78 MAPT (0.51) LMNACYP1A2CYP2D6MAPTKMT2A
SCHEMBL26604119 0.78 CYP1A2 (0.52) LMNACYP1A2CYP2D6MAPTFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed