SCHEMBL1736506

SCHEMBL1736506

C=CCCn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3CC)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
KRAS P01116 1/20 0.34
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR7 P34969 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31

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 SCHEMBL1738149 0.99 SIGMAR1 (0.36) SIGMAR1KRASCYP1A2CHRM2HTR1A
SCHEMBL1737403 0.91 PRCP (0.36) SIGMAR1KRASCYP1A2CHRM2HTR1A
Hydrochloric Acid SCHEMBL1738279 0.90 PRCP (0.36) SIGMAR1KRASCYP1A2CHRM2HTR1A
SCHEMBL1738471 0.89 ADRA2A (0.33) KRASCYP1A2HTR1AADRA2ACYP2D6
Hydrochloric Acid SCHEMBL1737065 0.88 ADRA2A (0.32) KRASCYP1A2HTR1AADRA2ACYP2D6
SCHEMBL1737283 0.87 MEN1 (0.35) KRASCYP1A2CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL1736961 0.86 MEN1 (0.34) KRASCYP1A2CHRM2HTR1AADRA2A
SCHEMBL1737520 0.86 NTRK1 (0.34) CYP1A2CHRM2HTR1AADRA2ACYP2D6
Hydrochloric Acid SCHEMBL1737217 0.85 NTRK1 (0.34) CYP1A2CHRM2HTR1AADRA2ACYP2D6
SCHEMBL1737164 0.84 HTR1A (0.35) KRASCYP1A2CHRM2HTR1AADRA2A

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 5 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
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed