SCHEMBL23837643

SCHEMBL23837643

Oc1cnc(-c2ccccn2)nc1NCC1CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.69
HIF1A Q16665 4/20 0.60
GPR39 O43194 5/20 0.48
AXL P30530 2/20 0.47
FLT3 P36888 2/20 0.47
TYRO3 Q06418 2/20 0.47
MERTK Q12866 2/20 0.47
GAS6 Q14393 2/20 0.47
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE5A O76074 2/20 0.43
IRAK1 P51617 1/20 0.41

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
SCHEMBL23837629 0.94 HIF1A (0.62) TRPM8HIF1AGPR39AXLFLT3
SCHEMBL1442185 0.81 TRPM8 (1.00) TRPM8HIF1AHTTKMT2ASMN1; SMN2
SCHEMBL1442021 0.76 TRPM8 (0.89) TRPM8HIF1AGPR39HTTKMT2A
SCHEMBL1443136 0.73 HIF1A (0.55) TRPM8HIF1AGPR39HTTKMT2A
SCHEMBL13728183 0.71 KDM4E (0.55) TRPM8HIF1AHTTKMT2ASMN1; SMN2
SCHEMBL23837660 0.69 SMN1; SMN2 (0.52) TRPM8HIF1AHTTKMT2ASMN1; SMN2
SCHEMBL1699181 0.68 TRPM8 (0.67) TRPM8HIF1AGPR39AXLFLT3
SCHEMBL1699208 0.68 TRPM8 (0.67) TRPM8GPR39AXLFLT3TYRO3
SCHEMBL30532224 0.68 TRPM8 (0.67) TRPM8HIF1AGPR39AXLFLT3
SCHEMBL30532225 0.68 TRPM8 (0.67) TRPM8GPR39AXLFLT3TYRO3

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
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed