SCHEMBL1738210

SCHEMBL1738210

Cc1[nH]c2c(N3CCc4ccc(Cl)cc4C3C)nccc2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.35
HTR2A P28223 5/20 0.35
HTR2C P28335 5/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDE1B Q01064 2/20 0.34
CYP2C19 P33261 2/20 0.34
PDE2A O00408 1/20 0.34
PDE8B O95263 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PDE1A P54750 1/20 0.34
PDE4D Q08499 1/20 0.34

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 SCHEMBL1736939 0.99 HTR2B (0.34) HTR2BHTR2AHTR2CADRB1HTR1A
SCHEMBL1737475 0.88 HTR2A (0.35) HTR2AHTR2CCYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736669 0.87 HTR2A (0.34) HTR2AHTR2CCYP2C19CYP1A2CYP3A4
SCHEMBL1737600 0.86 DYRK1A (0.43) HTR2BHTR2AHTR2CADRA2AADRA2B
Hydrochloric Acid SCHEMBL1737011 0.85 DYRK1A (0.42) HTR2BHTR2AHTR2CADRA2AADRA2B
SCHEMBL1735608 0.85 MAPT (0.37) HTR2BHTR2AHTR2CHTR1AADRA2A
Hydrochloric Acid SCHEMBL1736651 0.84 KDM4E (0.36) HTR2BHTR2AHTR2CHTR1AADRA2A
SCHEMBL1736981 0.84 KDM4E (0.36) HTR2BHTR2AHTR2CHTR1AADRA2A
SCHEMBL1736979 0.84 MAPT (0.36) HTR2BHTR2AHTR2CHTR1AADRA2A
SCHEMBL1737805 0.81 CCNB2 (0.34) CYP2C19CYP1A2CYP3A4CYP2C9DYRK1A

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