SCHEMBL7541001

SCHEMBL7541001

CC(C)CNC(=O)C1Cc2[nH]cnc2CN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AOC3 Q16853 1/20 0.33
BUB1 O43683 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
ANPEP P15144 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
OXTR P30559 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 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
SCHEMBL23521350 0.79 ADRA1A (0.36) MMP8MMP3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9582471 0.71 MMP8 (0.35) MMP8MMP3
Trifluoroacetic Acid SCHEMBL7532719 0.70 HRH4 (0.32) ALDH1A1AOC3SMN1; SMN2KDM4EGAA
SCHEMBL9582692 0.68 HTR3A (0.38) MMP8MMP3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20491469 0.68 MMP8 (0.41) MMP8MMP3TAOK1ALDH1A1SMN1; SMN2
SCHEMBL20491468 0.68 MMP8 (0.41) MMP8MMP3TAOK1ALDH1A1SMN1; SMN2
SCHEMBL9582228 0.68 HTR3A (0.38) MMP8MMP3ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL9582939 0.67 HTR3A (0.37) MMP8MMP3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21515924 0.66 HTR3A (0.38) MMP8MMP3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22175651 0.65 AGTR2 (0.51)

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
WO-2002038153-A1 NEW USE OF 4, 5, 6, 7-TETRAHYDROIMIDAZO-[4,5-C]PYRIDINE DERIVATIVES BIOVITRUM AB (SE) 2002-05-16 WO disclosed