SCHEMBL789873

SCHEMBL789873

Cc1ccc(Nc2nc(C(=O)N3CCCCC3)cs2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 10/20 0.81
TRPC6 Q9Y210 10/20 0.81
TSHR P16473 1/20 0.67
TRPA1 O75762 1/20 0.64
CACNA1C Q13936 1/20 0.64
SCN5A Q14524 1/20 0.64
TRPV1 Q8NER1 1/20 0.64
TRPV4 Q9HBA0 1/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
GAA P10253 2/20 0.58
MAPT P10636 2/20 0.58

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
SCHEMBL788828 0.87 TRPC3 (0.78) TRPC3TRPC6TSHRMEN1KMT2A
SCHEMBL789564 0.87 TRPC3 (1.00) TRPC3TRPC6TSHRTRPA1CACNA1C
SCHEMBL10087858 0.83 TRPC3 (0.58) TRPC3TRPC6TSHRTRPA1CACNA1C
SCHEMBL789503 0.78 TRPC3 (1.00) TRPC3TRPC6TSHRTRPA1CACNA1C
SCHEMBL5200233 0.78 MAPT (0.68) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL3540590 0.78 ALDH1A1 (0.61) TRPC3TRPC6TSHRMEN1KMT2A
SCHEMBL789085 0.76 NPC1 (0.98) TRPC3TRPC6TSHRMEN1KMT2A
SCHEMBL29944255 0.75 NPC1 (0.57) TRPC3TRPC6TSHRMEN1KMT2A
SCHEMBL20600073 0.73 TRPC3 (0.58) TRPC3TRPC6TSHRTRPA1CACNA1C
SCHEMBL21708021 0.73 MAPT (0.68) MEN1KMT2ANPC1ALDH1A1RAB9A

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
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO claimed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed