SCHEMBL30933381

SCHEMBL30933381

COC(=O)c1ccccc1[C@@H]1C[C@@H](n2cccn2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL30711254 0.82 HSD17B10 (0.43) EPHX2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30768213 0.81 PAK1 (0.37) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL31465108 0.74 HDAC3 (0.38) KDM4EALDH1A1HSD17B10GAALMNA
SCHEMBL31465088 0.72 PDK2 (0.36) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL30711219 0.72 EPHX2 (0.41) EPHX2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL30292241 0.71 CHRNA7 (0.43) EPHX2HCAR2MEN1KMT2A
SCHEMBL31465073 0.71 PDK2 (0.35) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL30711313 0.71 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL31465168 0.69 POLB (0.36) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4516849 0.69 SLC6A2 (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043314-A Benzazepine heteroaromatic ring derivative and application thereof in medicine 西藏海思科制药有限公司 2024-05-14 — — CN disclosed
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