SCHEMBL1739476

SCHEMBL1739476

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.44
SIGMAR1 Q99720 2/20 0.35
HTR1A P08908 2/20 0.35
CYP2D6 P10635 5/20 0.33
KCNH2 Q12809 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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 SCHEMBL1737450 0.99 PRCP (0.44) PRCPSIGMAR1HTR1ACYP2D6KCNH2
SCHEMBL1737465 0.89 CYP2D6 (0.35) PRCPCYP2D6KCNH2MEN1LMNA
Hydrochloric Acid SCHEMBL1736677 0.88 CYP2D6 (0.35) PRCPSIGMAR1CYP2D6KCNH2MEN1
SCHEMBL1738750 0.88 PRCP (0.39) PRCPSIGMAR1HTR1ACYP2D6SMN1; SMN2
SCHEMBL1737403 0.87 PRCP (0.36) PRCPSIGMAR1HTR1ACYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL1737058 0.87 PRCP (0.38) PRCPSIGMAR1HTR1ACYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL1738279 0.86 PRCP (0.36) PRCPSIGMAR1HTR1ACYP2D6MEN1
SCHEMBL1735955 0.84 NTRK1 (0.35) PRCPCYP2D6KCNH2MEN1LMNA
Hydrochloric Acid SCHEMBL1736715 0.84 NTRK1 (0.34) PRCPCYP2D6KCNH2MEN1KMT2A
SCHEMBL1739794 0.81 SIGMAR1 (0.41) SIGMAR1CYP2D6KCNH2

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