SCHEMBL29928016

SCHEMBL29928016

CC(C)(C)OC(=O)N1CCC(OC2CC(N3CC4(CCN(C(=O)OCc5ccccc5)CC4)C3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
STS P08842 1/20 0.43
YAP1 P46937 2/20 0.42
GRIN2B Q13224 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL29927705 0.94 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30135794 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26924557 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26924552 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL27302857 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL27302900 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL31540057 0.87 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30963373 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL29927485 0.85 ENPP2 (0.48) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL29198448 0.83 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 2 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
WO-2022198112-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-09-22 WO disclosed