SCHEMBL5013296

SCHEMBL5013296

CCCCNCc1ccccc1C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.76
SCN8A Q9UQD0 3/20 0.49
CA12 O43570 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46

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
SCHEMBL7605778 0.93 CHRM2 (0.83) CHRM2CA12CA2CA9TSHR
Hydrochloric Acid SCHEMBL5713128 0.91 CHRM2 (0.80) CHRM2CA12CA2CA9GRIN1
Hydrochloric Acid SCHEMBL5713119 0.91 CHRM2 (0.80) CHRM2CA12CA2CA9GRIN1
Hydrochloric Acid SCHEMBL3665646 0.91 CHRM2 (0.80) CHRM2CA12CA2CA9GRIN1
SCHEMBL13159608 0.88 CHRM2 (0.69) CHRM2SCN8ACA12CA2CA9
SCHEMBL4913105 0.86 CHRM2 (0.77) CHRM2SCN8ACA12CA2CA9
SCHEMBL4912089 0.84 CHRM2 (0.81) CHRM2CA12CA2TSHRHTT
SCHEMBL4916612 0.84 CHRM2 (0.81) CHRM2CA12CA2TSHRHTT
SCHEMBL5034679 0.84 CHRM2 (0.81) CHRM2CA12CA2TSHRHTT
SCHEMBL5769664 0.83 CHRM2 (0.73) CHRM2SCN8ACA12CA2CA9

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-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20080295935-A1 Rubber Composition and Tire JSR CORPORATION (JP) 2008-12-04 US disclosed