SCHEMBL30454525

SCHEMBL30454525

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)c3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.64
KCNH2 Q12809 3/20 0.54
BMPR1B O00238 2/20 0.50
BMPR1A P36894 2/20 0.50
ACVRL1 P37023 2/20 0.50
ACVR1 Q04771 2/20 0.50
TGFBR1 P36897 1/20 0.50
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL487853 1.00 MET (0.64) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL487934 0.91 MET (0.54) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL30453694 0.91 MET (0.54) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL487839 0.90 MET (0.65) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL30454608 0.90 MET (0.65) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL488261 0.89 MET (0.68) MET
SCHEMBL30454369 0.89 MET (0.68) MET
SCHEMBL488098 0.86 MET (0.63) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL30453146 0.86 MET (0.63) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL30453468 0.85 MET (0.69) MET

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