SCHEMBL30711329

SCHEMBL30711329

COC(=O)c1ccc(C2CC(c3cc(Br)sc3C)CCN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ GAA P10253 2/20 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
▸ POLB P06746 2/20 0.36
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HNF4A P41235 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ AR P10275 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
SCHEMBL30711320 1.00 MEN1 (0.40) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL30711382 0.88 RARG (0.35) HNF4ASLC6A2SLC6A4SLC6A3
SCHEMBL30711368 0.83 HTT (0.42) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL30711386 0.78 KDM4E (0.39) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL30711314 0.78 HTT (0.40) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL30711387 0.77 HTT (0.39) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL25076786 0.77 GRIN2B (0.47) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL29213808 0.77 GRIN2B (0.47) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL25076785 0.77 GRIN2B (0.47) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL30711242 0.76 KDM4E (0.42) MEN1KMT2AHTTKDM4EALDH1A1

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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