SCHEMBL31465108

SCHEMBL31465108

COC(=O)c1ccccc1[C@@H]1CC(c2cnn(C)c2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ HSD11B1 P28845 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KMT2A Q03164 1/20 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
SCHEMBL30711337 0.82 TSHR (0.41) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL31465168 0.81 POLB (0.36) GRM2HTR2CSMN1; SMN2KDM4EALDH1A1
SCHEMBL31465073 0.77 PDK2 (0.35) SMN1; SMN2KDM4EALDH1A1HSD17B10LMNA
SCHEMBL30711365 0.76 SLC6A4 (0.39) HDAC4CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL30711307 0.76 ALDH1A1 (0.42) GRM2SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL31465088 0.76 PDK2 (0.36) SMN1; SMN2KDM4EALDH1A1HSD17B10LMNA
SCHEMBL30711313 0.74 KDM4E (0.42) HDAC3HDAC4HDAC7HDAC8HDAC9
SCHEMBL30768213 0.74 PAK1 (0.37) GRM2SMN1; SMN2CYP1A2CYP2C19KDM4E
SCHEMBL30933381 0.74 EPHX2 (0.38) GRM2SMN1; SMN2CYP1A2CYP2C19KDM4E
SCHEMBL30711191 0.73 HCAR2 (0.42) HDAC3HDAC4HDAC7HDAC8HDAC9

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-119698414-A Indole-phenyl piperidine compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-03-25 — — CN disclosed
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