SCHEMBL9736902

SCHEMBL9736902

CN(CCCOc1ccc(N)cc1)Cc1cnc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE10A Q9Y233 1/20 0.41
KMT2A Q03164 2/20 0.40
HTR5A P47898 1/20 0.40
LSS P48449 1/20 0.39
APP P05067 2/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.38
LTA4H P09960 4/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL9736388 0.86 CYSLTR1 (0.48) PDE10AHTR5A
SCHEMBL9736462 0.83 KCNH2 (0.58) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL9733158 0.81 KCNH2 (0.49) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL9737271 0.79 MAPT (0.45) MAPTALDH1A1KDM4EKMT2AAPP
SCHEMBL7234281 0.76 TSHR (0.64) NPC1RAB9AKMT2ATSHRMAOB
SCHEMBL16846177 0.76 PDE10A (0.53) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL9736899 0.74 MAPT (0.43) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL23423707 0.72 PDE10A (0.56) MAPTKDM4ENPC1PDE10AKMT2A
SCHEMBL12092562 0.70 PDE10A (0.62) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL9737655 0.70 KCNH2 (0.59) ALDH1A1KDM4EPDE10ALSS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed