SCHEMBL29928240

SCHEMBL29928240

C[C@H]1CN(C(=O)OCc2ccccc2)CCN1CCN1CCC(C(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP2C19 P33261 1/20 0.51
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LTA4H P09960 1/20 0.45
HTR2C P28335 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
BCHE P06276 1/20 0.42
CHRM1 P11229 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29927443 0.88 PDK1 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19PDK1
SCHEMBL25134533 0.88 PDK1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19PDK1
SCHEMBL29928044 0.86 HTR2C (0.50) SMN1; SMN2NPC1RAB9ACYP2C19PDK1
SCHEMBL23867075 0.86 PDK1 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19PDK1
SCHEMBL30144155 0.84 PDK1 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PDK1
SCHEMBL23867200 0.82 PDK1 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PDK1
SCHEMBL30720915 0.82 PDK1 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PDK1
SCHEMBL4329419 0.81 PDK1 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19PDK1
SCHEMBL12070966 0.81 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL103560 0.81 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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