SCHEMBL5797262

SCHEMBL5797262

Cc1c(C)n(Cc2ccc3ccccc3c2)c2c(N3CCC(c4ccccc4)CC3)nccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
MCL1 Q07820 1/20 0.40
ACHE P22303 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PDE2A O00408 2/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR6 P50406 1/20 0.37
AOC3 Q16853 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.35
SLC6A4 P31645 1/20 0.35
REN P00797 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
Hydrochloric Acid SCHEMBL5810058 0.99 GRM2 (0.40) GRM2MCL1ACHEKMT2AMEN1
Hydrochloric Acid SCHEMBL5810383 0.90 PDE2A (0.42) PDE2APDE10AREN
SCHEMBL5811987 0.89 GRM2 (0.45) GRM2KMT2AMEN1DRD2HTR6
Hydrochloric Acid SCHEMBL5808911 0.88 GRM2 (0.44) GRM2KMT2AMEN1HTR6AOC3
Hydrochloric Acid SCHEMBL5808729 0.87 MCL1 (0.41) MCL1ACHEKMT2AMEN1PDE2A
Hydrochloric Acid SCHEMBL5808735 0.87 GRM2 (0.42) GRM2MCL1KMT2AMEN1HTR6
Hydrochloric Acid SCHEMBL5809859 0.87 GRM2 (0.39) GRM2KMT2AMEN1PDE2ADRD4
Hydrochloric Acid SCHEMBL5810462 0.86 AVPR1A (0.45) GRM2KMT2AMEN1DRD2DRD4
Hydrochloric Acid SCHEMBL5811077 0.86 MEN1 (0.49) GRM2KMT2AMEN1DRD2DRD4
Hydrochloric Acid SCHEMBL5809078 0.85 MAPT (0.42) GRM2HRH3AOC3KDM4EALDH1A1

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed