SCHEMBL4376910

SCHEMBL4376910

CC(C)Oc1cccc(NC(=O)c2cncc(C3CCCN3C(C)(C)C)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 4/20 0.52
▸ SCN10A Q9Y5Y9 4/20 0.52
▸ DRD4 P21917 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ CREBBP Q92793 2/20 0.38

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
SCHEMBL4376888 0.88 TRPM8 (0.46) —
SCHEMBL4375164 0.86 SCN2A (0.40) SCN2ASCN10ASMN1; SMN2
SCHEMBL1134481 0.75 SCN2A (0.64) SCN2ASCN10AF2PLGPLAU
SCHEMBL2064506 0.72 SCN2A (0.47) SCN2ASCN10A
SCHEMBL2064507 0.72 SCN2A (0.47) SCN2ASCN10A
SCHEMBL1135585 0.70 SCN2A (0.52) SCN2ASCN10A
SCHEMBL5894005 0.65 CA2 (0.52) F2PLGPLAUPLATKLKB1
SCHEMBL19101078 0.64 SCN2A (0.67) SCN2ASCN10ASMN1; SMN2GRM4
SCHEMBL1135637 0.64 CHRNB4 (0.56) —
SCHEMBL24775068 0.63 HTR2A (0.40) SMN1; SMN2

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-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 — — EP disclosed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 — — WO disclosed
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