SCHEMBL29132299

SCHEMBL29132299

NCCCCN1CCC(CN2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ GRIN2B Q13224 6/20 0.47
▸ SIGMAR1 Q99720 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TEAD3 Q99594 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45

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
SCHEMBL29132227 0.90 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
Hydrochloric Acid SCHEMBL29170427 0.89 SIGMAR1 (0.56) SMN1; SMN2CYP2C19NPC1RAB9ASIGMAR1
SCHEMBL29132158 0.86 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL22497996 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13661150 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6584365 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13661312 0.82 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL27012546 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL335166 0.81 MEN1 (0.59) SMN1; SMN2CYP2C19NPC1RAB9ASIGMAR1
SCHEMBL29132278 0.81 SIGMAR1 (0.57) SIGMAR1

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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