SCHEMBL1737465

SCHEMBL1737465

CCn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3C3CC3)c21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.35
KCNH2 Q12809 7/20 0.34
PRCP P42785 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NTRK1 P04629 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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 SCHEMBL1736677 0.99 CYP2D6 (0.35) CYP2D6KCNH2PRCPMEN1KMT2A
SCHEMBL1739476 0.89 PRCP (0.44) CYP2D6KCNH2PRCPMEN1KMT2A
Hydrochloric Acid SCHEMBL1737450 0.88 PRCP (0.44) CYP2D6KCNH2PRCPMEN1KMT2A
SCHEMBL1735955 0.88 NTRK1 (0.35) CYP2D6KCNH2PRCPMEN1KMT2A
Hydrochloric Acid SCHEMBL1736715 0.87 NTRK1 (0.34) CYP2D6KCNH2PRCPMEN1KMT2A
SCHEMBL1737423 0.87 MEN1 (0.35) CYP2D6PRCPMEN1KMT2ALMNA
SCHEMBL1737283 0.87 MEN1 (0.35) CYP2D6PRCPMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1736961 0.86 MEN1 (0.34) CYP2D6PRCPMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1737944 0.86 MEN1 (0.34) CYP2D6PRCPMEN1KMT2ALMNA
SCHEMBL1739794 0.85 SIGMAR1 (0.41) CYP2D6KCNH2

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