SCHEMBL29132176

SCHEMBL29132176

O=C(OCc1ccccc1)N1CCC(CN2CCC(CC3CN(c4cc(Br)ccn4)C3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 16/20 0.48
▸ CYP2D6 P10635 4/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ FAAH O00519 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ CHRM4 P08173 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
SCHEMBL29132084 0.88 GRIN2B (0.47) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL23860580 0.85 GRIN2B (0.49) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL29132210 0.85 GRIN2B (0.48) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL29132144 0.80 GRIN2B (0.43) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL25293557 0.80 GRM5 (0.54) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL29132081 0.76 SMN1; SMN2 (0.56) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL30812124 0.75 GRIN2B (0.52) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL29132125 0.75 SMN1; SMN2 (0.50) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL13661148 0.74 SMN1; SMN2 (0.58) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL6584365 0.74 SMN1; SMN2 (0.62) GRIN2BCYP2D6CYP2C9CYP3A4FAAH

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
Send feedback