SCHEMBL30711361

SCHEMBL30711361

COC(=O)c1ccc(C2CC(c3csc(C)n3)CCN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL30711203 0.88 RAB9A (0.45) HTTALDH1A1KDM4EGAAHPGD
SCHEMBL30711369 0.88 RAB9A (0.45) HTTALDH1A1KDM4EGAAHPGD
SCHEMBL31465098 0.82 KDM4E (0.38) HTTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL30711314 0.81 HTT (0.40) HTTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL30711177 0.80 KDM4E (0.40) HTTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL30711242 0.78 KDM4E (0.42) HTTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL30711368 0.78 HTT (0.42) HTTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL30711296 0.77 ALDH1A1 (0.38) HTTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL25076786 0.77 GRIN2B (0.47) HTTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL25076785 0.77 GRIN2B (0.47) HTTALDH1A1KDM4ETSHRHSD17B10

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
WO-2023246677-A1 INDOLE-PHENYLPIPERIDINE COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 深圳信立泰药业股份有限公司 2023-12-28 — — WO disclosed
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