SCHEMBL1737985

SCHEMBL1737985

C=CCn1c(C)c(C)c2cc(CN3CCN(C)CC3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
CASP7 P55210 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GRIN2D O15399 4/20 0.34
GRIN3B O60391 4/20 0.34
GRIN1 Q05586 4/20 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 SCHEMBL1736541 0.99 HRH4 (0.37) HRH4MAPTALDH1A1KDM4EHTT
SCHEMBL1737459 0.89 MEN1 (0.40) HRH4MAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL1737179 0.88 MEN1 (0.39) HRH4MAPTALDH1A1KDM4EHTT
SCHEMBL1738557 0.88 PDE4A (0.39) HRH4MAPTALDH1A1KDM4EHTT
SCHEMBL1737620 0.87 MC4R (0.40) HRH4MAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL1737699 0.87 PDE4A (0.39) HRH4MAPTALDH1A1KDM4EHTT
SCHEMBL1739572 0.87 GRIN2D (0.39) HRH4MAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL1737914 0.86 MC4R (0.39) HRH4MAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL1736120 0.86 GRIN2D (0.38) HRH4MAPTALDH1A1KDM4EHTT
SCHEMBL1737419 0.86 HRH4 (0.37) HRH4MAPTALDH1A1KDM4EHTT

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 4 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-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed