SCHEMBL29132227

SCHEMBL29132227

O=C(OCc1ccccc1)N1CCN(CC2CCN(CCCCO)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CYP2C19 P33261 1/20 0.50
▸ GRIN2B Q13224 7/20 0.48
▸ TMEM97 Q5BJF2 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TEAD3 Q99594 1/20 0.47
▸ TNKS O95271 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ CA1 P00915 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
SCHEMBL29132299 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL22788750 0.90 MEN1 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL29132158 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL5154279 0.86 MEN1 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL29132180 0.84 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL22497996 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661150 0.83 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661312 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL27012546 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL29132278 0.82 SIGMAR1 (0.57) TMEM97SIGMAR1

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
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