SCHEMBL9851392

SCHEMBL9851392

CC(=O)N1CCCc2c1nc1cccc(F)c1c2N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.53
NOTUM Q6P988 2/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
BCHE P06276 3/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL9851333 0.78 ACHE (0.61) ACHEMEN1NPC1KMT2ARXFP1
SCHEMBL9851349 0.76 ACHE (0.55) ACHEMEN1NPC1KMT2ARXFP1
SCHEMBL9851398 0.74 ACHE (0.52) ACHEMEN1NPC1KMT2ARXFP1
SCHEMBL9851343 0.70 ACHE (0.51) ACHEMEN1NPC1KMT2ARXFP1
SCHEMBL9583084 0.70 ACHE (1.00) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL8019759 0.70 ACHE (0.94) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL24011117 0.70 NOTUM (0.82) NOTUMKDM4EALDH1A1MAPTHPGD
SCHEMBL9583887 0.69 ACHE (0.97) ACHEGRIN1GRIN2ABCHEKDM4E
Water SCHEMBL9851375 0.68 ACHE (0.45) ACHEMEN1NPC1KMT2ARXFP1
SCHEMBL9851387 0.68 KDM4E (0.53) ACHEMEN1KMT2AGRIN1GRIN2A

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
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP claimed