SCHEMBL9436007

SCHEMBL9436007

NC(=O)NOCCC(CC1CCCCC1)c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
CTSK P43235 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
F2 P00734 2/20 0.30
PRSS1 P07477 2/20 0.30

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
SCHEMBL8104957 0.97 CNR2 (0.32) CNR2
SCHEMBL8105708 0.94 CNR2 (0.32) CNR2CNR1
SCHEMBL8106536 0.82 MEN1 (0.38)
SCHEMBL4379169 0.75
SCHEMBL8120942 0.75 MAPT (0.34)
SCHEMBL8114366 0.74 RAD52 (0.30)
SCHEMBL8115904 0.74 NR3C2 (0.35) METAP2METAP1MMP2CNR2
SCHEMBL8115322 0.73 NR3C2 (0.33) HRH2HRH1PARP10
SCHEMBL8115062 0.73 CYP2C9 (0.35) MMP2
SCHEMBL8104614 0.72 LMNA (0.39) MMP2

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
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO claimed