SCHEMBL6985637

SCHEMBL6985637

NC(=O)N1CCC[C@@H]1Oc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
EPHX2 P34913 2/20 0.37
PREP P48147 3/20 0.36
FAP Q12884 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP4 P27487 1/20 0.36
PARP10 Q53GL7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ACACB O00763 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2J2 P51589 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL30440955 0.81 ALDH1A1 (0.44) HTTDPP8DPP4PARP10KDM4E
SCHEMBL6982186 0.76 FURIN (0.42) EPHX2DPP4HRH3
SCHEMBL30668743 0.76 GPR119 (0.44)
SCHEMBL5799262 0.73 EPHX2 (0.34) HTTEPHX2KDM4EALDH1A1CYP2C9
SCHEMBL9706584 0.72 KIF11 (0.44) EPHX2KDM4EALDH1A1HRH3
SCHEMBL5010541 0.72 ALDH1A1 (0.51) HTTDPP8DPP4KDM4EALDH1A1
SCHEMBL29785152 0.69 DPP4 (0.38) HTTPREPFAPDPP8DPP9
SCHEMBL27715252 0.69 DPP4 (0.38) HTTPREPFAPDPP8DPP9
SCHEMBL27736032 0.69 DPP4 (0.38) HTTPREPFAPDPP8DPP9
SCHEMBL26136601 0.68 SMN1; SMN2 (0.47) PREPDPP8DPP4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed