SCHEMBL30452936

SCHEMBL30452936

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccc(F)cc4Cl)c3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.55
KCNH2 Q12809 3/20 0.54
BMPR1B O00238 2/20 0.48
BMPR1A P36894 2/20 0.48
ACVRL1 P37023 2/20 0.48
ACVR1 Q04771 2/20 0.48
TGFBR1 P36897 1/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
NTRK1 P04629 1/20 0.46
MERTK Q12866 1/20 0.45
SYK P43405 1/20 0.44

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
SCHEMBL488152 1.00 MET (0.55) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL30453620 0.93 MET (0.55) METKCNH2
SCHEMBL488138 0.93 MET (0.55) METKCNH2
SCHEMBL30453900 0.92 MET (0.64) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL488239 0.92 MET (0.64) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL30453079 0.89 MET (0.63) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL488445 0.89 MET (0.63) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL30453454 0.85 MET (0.56) METKCNH2
SCHEMBL488399 0.85 MET (0.56) METKCNH2
SCHEMBL30453352 0.85 MET (0.64) METKCNH2USP2HPGD

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