SCHEMBL30768213

SCHEMBL30768213

COC(=O)c1ccccc1C1CC(n2cc(C#N)cn2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 7/20 0.37
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL30933381 0.81 EPHX2 (0.38) HCRTR1HCRTR2KDM4EALDH1A1HSD17B10
SCHEMBL31465108 0.74 HDAC3 (0.38) HCRTR1HCRTR2KDM4EALDH1A1HSD17B10
SCHEMBL30053827 0.74 CHRNA7 (0.38) PAK1MEN1KMT2A
SCHEMBL31465168 0.68 POLB (0.36) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL31465073 0.68 PDK2 (0.35) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL30711307 0.67 ALDH1A1 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2GRM2
SCHEMBL30711365 0.67 SLC6A4 (0.39) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL31465088 0.67 PDK2 (0.36) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL29149030 0.67 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL29711500 0.66 TRPC3 (0.36) ALDH1A1

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
CN-120081822-A Substituted indole compounds and methods of use thereof 诺瓦提斯药物公司 2025-06-03 — — CN disclosed
CN-117500499-A Substituted indole compounds and methods of use thereof 奇努克治疗公司 2024-02-02 — — CN disclosed
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