SCHEMBL29132279

SCHEMBL29132279

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(CN3CCN(C(=O)OCc4ccccc4)CC3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 2/20 0.54
CYP2C19 P33261 1/20 0.54
STS P08842 1/20 0.51
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GRIN2B Q13224 4/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.47
YAP1 P46937 2/20 0.47
CCR6 P51684 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL27308756 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL18921646 0.94 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2386800 0.94 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL1939593 0.92 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6981012 0.92 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30111715 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL29132380 0.91 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26925080 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL29132053 0.90 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30179036 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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