SCHEMBL8947972

SCHEMBL8947972

Cn1c(CNC(=O)Nc2cccc(C(=O)O)c2)c(-c2ccccc2)c2cc(Cl)ccc2c1=O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.54
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TACR1 P25103 2/20 0.44
MAPK8 P45983 2/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CASR P41180 1/20 0.41
LMNA P02545 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
SCHEMBL8948077 0.99 DPP4 (0.55) DPP4NPC1RAB9ATACR1MAPK8
SCHEMBL8947979 0.98 DPP4 (0.54) DPP4NPC1RAB9ATACR1MAPK8
SCHEMBL8947977 0.91 DPP4 (0.52) DPP4NPC1RAB9ATACR1MAPK8
SCHEMBL8947983 0.91 DPP4 (0.56) DPP4TACR1MAPK8MAPT
SCHEMBL8947848 0.90 DPP4 (0.57) DPP4TACR1MAPK8MAPT
SCHEMBL8947995 0.89 TACR1 (0.56) DPP4NPC1RAB9ATACR1MAPK8
SCHEMBL8947988 0.89 DPP4 (0.56) DPP4TACR1MAPK8MAPT
SCHEMBL8948020 0.89 MAPT (0.51) DPP4TACR1MAPTLMNA
SCHEMBL8947960 0.88 DPP4 (0.52) DPP4NPC1RAB9ATACR1MAPK8
SCHEMBL8947951 0.87 DPP4 (0.61) DPP4NPC1RAB9ATACR1MAPK8

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
US-5527811-A CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
EP-0634402-A1 Isochinolinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-01-18 EP disclosed