SCHEMBL29132099

SCHEMBL29132099

CCOC(=O)C1CCC(OCC2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
CYP2C19 P33261 1/20 0.55
GRIN2B Q13224 5/20 0.52
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL630697 0.88 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19PKM
SCHEMBL14127568 0.87 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19PKM
SCHEMBL15610237 0.87 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19PKM
SCHEMBL29132155 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1507267 0.83 NPC1 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19PKM
SCHEMBL26351934 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL12525688 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL12813398 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL21996804 0.82 GPR119 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL12526668 0.82 GPR119 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308557-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2024-01-24 EP disclosed
CN-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed
WO-2022198112-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-09-22 WO disclosed