SCHEMBL29132085

SCHEMBL29132085

O=C(OCc1ccccc1)N1CCN(Cc2ccc(CN3CCNCC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.59
FNTA P49354 2/20 0.56
FNTB P49356 2/20 0.56
PGGT1B P53609 2/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC29A1 Q99808 1/20 0.51
FAAH O00519 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49

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
SCHEMBL12018092 0.95 SIGMAR1 (0.62) SIGMAR1FNTAFNTBPGGT1BKMT2A
SCHEMBL22418871 0.92 SIGMAR1 (0.52) SIGMAR1FNTAFNTBPGGT1BKMT2A
SCHEMBL29132334 0.90 MEN1 (0.60) SIGMAR1FNTAFNTBPGGT1BKMT2A
SCHEMBL3976200 0.88 MEN1 (0.59) SIGMAR1FNTAFNTBPGGT1BKMT2A
SCHEMBL29132079 0.88 FNTA (0.52) SIGMAR1FNTAFNTBPGGT1BKMT2A
SCHEMBL3970461 0.88 MEN1 (0.64) SIGMAR1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL4588381 0.88 MEN1 (0.64) SIGMAR1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL5747411 0.87 MEN1 (0.54) SIGMAR1FNTAFNTBPGGT1BKMT2A
SCHEMBL22418877 0.87 SIGMAR1 (0.55) SIGMAR1FNTAFNTBPGGT1BKMT2A
SCHEMBL31329561 0.86 MEN1 (0.62) SIGMAR1KMT2AMEN1NPSR1SMN1; SMN2

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