SCHEMBL4965296

SCHEMBL4965296

c1ccc(-c2nccc(C3CCC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
USP30 Q70CQ3 1/20 0.47
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADORA2A P29274 5/20 0.40
ADORA1 P30542 5/20 0.40

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
SCHEMBL8036551 0.95 PIK3CD (0.51) PIK3CDPIK3CAUSP30PIM1PIM3
SCHEMBL1151829 0.93 PIK3CD (0.55) PIK3CDPIK3CAUSP30PIM1PIM3
SCHEMBL13294661 0.85 HPGDS (0.51) PIK3CDPIK3CAUSP30PIM1PIM3
SCHEMBL29641671 0.77 PIK3CD (0.49) PIK3CDPIK3CAUSP30PIM1PIM3
SCHEMBL4879777 0.77 PIK3CD (0.42) PIK3CDPIK3CAUSP30
SCHEMBL28404203 0.74 ADORA1 (0.54) PIK3CAUSP30NPC1RAB9ASMN1; SMN2
SCHEMBL190954 0.73 AURKA (0.63) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL29620532 0.73 AURKA (0.63) MAPTKMT2AKDM4EMEN1NPC1
Ammonia Solution, Strong SCHEMBL20267253 0.71 AURKA (0.61) MAPTKMT2AKDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL8889589 0.71 KMT2A (0.40) PIK3CDPIK3CAUSP30PIM1PIM3

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-1888523-A2 CYCLOBUTYL AMINE DERIVATIVES Abbott Laboratories (US) 2008-02-20 EP claimed
WO-2006132914-A2 CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-14 WO claimed
EP-1888523-A2 CYCLOBUTYL AMINE DERIVATIVES Abbott Laboratories (US) 2008-02-20 EP disclosed
WO-2006132914-A2 CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-14 WO disclosed