SCHEMBL30454652

SCHEMBL30454652

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4cccc(F)c4C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.56
MET P08581 6/20 0.53
BMPR1B O00238 2/20 0.47
BMPR1A P36894 2/20 0.47
ACVRL1 P37023 2/20 0.47
ACVR1 Q04771 2/20 0.47
SYK P43405 1/20 0.46
TGFBR1 P36897 1/20 0.46
MERTK Q12866 2/20 0.45
AXL P30530 1/20 0.45
MAP4K4 O95819 1/20 0.43

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
SCHEMBL488288 1.00 KCNH2 (0.56) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL1384604 0.92 KCNH2 (0.55) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL488012 0.87 MET (0.65) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL30453650 0.87 MET (0.65) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL30454737 0.86 MET (0.57) METMERTKAXL
SCHEMBL488031 0.86 MET (0.57) METMERTKAXL
SCHEMBL10215501 0.86 MET (0.56) KCNH2METMAP4K4
SCHEMBL30453281 0.86 MET (0.56) KCNH2METMAP4K4
SCHEMBL488207 0.86 MET (0.56) KCNH2METMAP4K4
SCHEMBL487810 0.86 MET (0.52) METMAP4K4

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed