SCHEMBL30711388

SCHEMBL30711388

COC(=O)c1ccc(C2CC(c3cnn(CCF)c3)CCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 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
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ PLAT P00750 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL30711385 1.00 TSHR (0.37) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL30711318 0.88 L3MBTL1 (0.34) TSHRHSD17B10ALDH1A1HTR3ASMN1; SMN2
SCHEMBL30711337 0.88 TSHR (0.41) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL30711242 0.78 KDM4E (0.42) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL30711182 0.77 TSHR (0.42) TSHRHSD17B10KDM4EALDH1A1
SCHEMBL30711276 0.77 ALDH1A1 (0.41) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL30711323 0.77 MEN1 (0.41) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL30711240 0.77 TSHR (0.39) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL25076785 0.76 GRIN2B (0.47) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL25076786 0.76 GRIN2B (0.47) TSHRHSD17B10KDM4EALDH1A1GAA

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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