SCHEMBL28200545

SCHEMBL28200545

CC(CCC(=O)O)NC(=O)c1cnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.37
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ATM Q13315 1/20 0.33
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRP O00591 2/20 0.33

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
SCHEMBL28201169 0.83 NAALAD2 (0.35) NAALAD2HPGDHTTLMNAKDM4E
SCHEMBL28108413 0.83 L3MBTL1 (0.41) HPGDKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28201172 0.80 MME (0.38) NAALAD2KMT2AMEN1HTTLMNA
SCHEMBL18912366 0.77 ACACB (0.52) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28108424 0.74 FPR2 (0.41) HPGDKDM4EHCAR3ALDH1A1
SCHEMBL28108427 0.71 NAALAD2 (0.37) NAALAD2HPGDKMT2AMEN1HTT
SCHEMBL8527616 0.69 HPGD (0.69) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL25060915 0.67
SCHEMBL20341491 0.66 KDM4E (0.51) KMT2AHTTSMN1; SMN2LMNAKDM4E
SCHEMBL20341502 0.66 KDM4E (0.51) KMT2AHTTSMN1; SMN2LMNAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104520277-B Enkephalinase inhibitors 施万生物制药研发IP有限责任公司 2018-01-19 CN disclosed
CN-105992763-A Neprilysin inhibitors 施万生物制药研发IP有限责任公司 2016-10-05 CN disclosed
CN-105960398-A 5-biphenyl-4-heteroarylcarbonylamino-pentanoic acid derivatives as neprilysin inhibitors 施万生物制药研发IP有限责任公司 2016-09-21 CN disclosed