SCHEMBL8340986

SCHEMBL8340986

Cc1ccc2c(c1)CN(C)C=N2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 9/20 0.35
SLC6A3 Q01959 9/20 0.35
HRH4 Q9H3N8 1/20 0.34
CYP2D6 P10635 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SRD5A1 P18405 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
SCHEMBL904938 0.75 NPC1 (0.55) MEN1KMT2AHRH4PDE3BPDE3A
SCHEMBL20952966 0.70 PDE3B (0.40) NPSR1MEN1POLBKMT2APDE3B
SCHEMBL7939160 0.68 PDE3B (0.35) MEN1POLBKMT2APDE3BPDE3A
SCHEMBL23254194 0.67 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HRH4CYP2D6
SCHEMBL29546507 0.66 NPSR1 (0.40) NPSR1MEN1POLBKMT2ASLC6A2
SCHEMBL7932158 0.65 ADRA2A (0.34) POLBPDE3BPDE3ARAB9ASMN1; SMN2
SCHEMBL8344787 0.64 CA1 (0.34) MEN1POLBKMT2AHRH4HSD17B10
SCHEMBL12043688 0.64 MAPT (0.33) POLBPDE3BPDE3ANPC1RAB9A
SCHEMBL10267287 0.64 HTR5A (0.34) PDE3BPDE3A
SCHEMBL8340988 0.64 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6HSD17B10

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-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed