SCHEMBL29927485

SCHEMBL29927485

O=C(OCc1ccccc1)N1CCC2(CC1)CN(C1CC(OC3CCNCC3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.48
ATXN2 Q99700 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.45
GRIN2B Q13224 2/20 0.44
KDM1A O60341 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 3/20 0.40
NMT1 P30419 1/20 0.40

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
SCHEMBL29928016 0.85 SMN1; SMN2 (0.46) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL30963412 0.82 SMN1; SMN2 (0.64) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30720934 0.79 SMN1; SMN2 (0.45) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL29927705 0.79 SMN1; SMN2 (0.45) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL31540024 0.78 SMN1; SMN2 (0.50) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27302851 0.78 SMN1; SMN2 (0.55) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL30484110 0.78 MEN1 (0.57) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL27163021 0.77 SMN1; SMN2 (0.46) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL12526670 0.77 SMN1; SMN2 (0.60) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL871462 0.77 SMN1; SMN2 (0.60) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19

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