SCHEMBL1737403

SCHEMBL1737403

C=CCn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3CC)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.36
KRAS P01116 1/20 0.35
HTR1A P08908 4/20 0.34
SIGMAR1 Q99720 1/20 0.32
OPRM1 P35372 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD1 P21728 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
Hydrochloric Acid SCHEMBL1738279 0.99 PRCP (0.36) PRCPKRASHTR1ASIGMAR1OPRM1
SCHEMBL1736506 0.91 SIGMAR1 (0.34) PRCPKRASHTR1ASIGMAR1OPRM1
Hydrochloric Acid SCHEMBL1738149 0.90 SIGMAR1 (0.36) PRCPKRASHTR1ASIGMAR1MEN1
SCHEMBL1737768 0.90 SIGMAR1 (0.36) KRASHTR1ASIGMAR1OPRM1MEN1
SCHEMBL1738750 0.89 PRCP (0.39) PRCPKRASHTR1ASIGMAR1OPRM1
SCHEMBL1737283 0.89 MEN1 (0.35) PRCPKRASHTR1AOPRM1MEN1
Hydrochloric Acid SCHEMBL1736487 0.89 SIGMAR1 (0.38) KRASSIGMAR1OPRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL1737058 0.89 PRCP (0.38) PRCPKRASHTR1ASIGMAR1OPRM1
Hydrochloric Acid SCHEMBL1736961 0.88 MEN1 (0.34) PRCPKRASHTR1AOPRM1MEN1
SCHEMBL1739476 0.87 PRCP (0.44) PRCPHTR1ASIGMAR1MEN1KMT2A

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