SCHEMBL1737665

SCHEMBL1737665

Cc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccc(Cl)cc4C3C)nccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
CLPP Q16740 1/20 0.34
FABP4 P15090 1/20 0.33
RORC P51449 1/20 0.33
IDO1 P14902 1/20 0.33
PLA2G2A P14555 1/20 0.33
DPP4 P27487 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
CDK9 P50750 2/20 0.32
ENPP2 Q13822 1/20 0.32
PDE1A P54750 4/20 0.32
PDE1B Q01064 4/20 0.32
PDE1C Q14123 4/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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 SCHEMBL1737491 0.99 HTR6 (0.34) HTR6CLPPFABP4RORCIDO1
SCHEMBL1736043 0.93 HTR6 (0.35) HTR6FABP4PLA2G2ADPP4ENPP2
Hydrochloric Acid SCHEMBL1736873 0.93 HTR6 (0.34) HTR6FABP4PLA2G2ADPP4ENPP2
SCHEMBL1737284 0.92 CYP1A2 (0.36) HTR6PLA2G2APTGDR2PDE1APDE1B
SCHEMBL1737976 0.92 FABP4 (0.39) HTR6FABP4PDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL1735604 0.91 CYP1A2 (0.35) HTR6PLA2G2APTGDR2PDE1APDE1B
Hydrochloric Acid SCHEMBL1738247 0.91 FABP4 (0.38) HTR6FABP4PDE1APDE1BPDE1C
SCHEMBL1738012 0.90 FABP4 (0.35) HTR6FABP4PLA2G2ADPP4ENPP2
Hydrochloric Acid SCHEMBL1736728 0.89 FABP4 (0.35) HTR6FABP4PLA2G2ADPP4ENPP2
SCHEMBL1737566 0.89 HTR6 (0.35) HTR6FABP4PLA2G2ADPP4ENPP2

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-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed