SCHEMBL24394304

SCHEMBL24394304

CC(C)(C)OC(=O)N1CCN(C2(C#N)CCOC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.41
CCR2 P41597 1/20 0.38
EPHX2 P34913 1/20 0.37
CTSS P25774 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
CTSD P07339 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL29503576 1.00 USP2 (0.49) USP2SMN1; SMN2RECQLCCR2EPHX2
SCHEMBL994040 0.92 USP2 (0.55) USP2SMN1; SMN2RECQLCCR2EPHX2
SCHEMBL18406799 0.89 USP2 (0.50) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL14314348 0.82 USP2 (0.44) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL2398369 0.82 USP2 (0.59) USP2SMN1; SMN2RECQLEPHX2CTSS
SCHEMBL14306563 0.81 HPGD (0.43) USP2SMN1; SMN2EPHX2CTSSGPR119
SCHEMBL3665241 0.81 HPGD (0.43) USP2SMN1; SMN2EPHX2CTSSGPR119
SCHEMBL14314342 0.80 EPHX2 (0.42) USP2SMN1; SMN2EPHX2GPR119CTSK
SCHEMBL29503574 0.80 USP2 (0.55) USP2SMN1; SMN2RECQLCCR2EPHX2
SCHEMBL24394305 0.80 USP2 (0.55) USP2SMN1; SMN2RECQLCCR2EPHX2

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
CN-116390727-A N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2023-07-04 CN disclosed
WO-2022093881-A1 N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed