SCHEMBL30711240

SCHEMBL30711240

COC(=O)c1ccc(C2CC(c3cnn(C)c3C)CCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDE1C Q14123 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ GLA P06280 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
SCHEMBL30711276 0.82 ALDH1A1 (0.41) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL30711337 0.82 TSHR (0.41) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL30711239 0.81 TSHR (0.39) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL30711368 0.80 HTT (0.42) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL30711242 0.78 KDM4E (0.42) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL30711323 0.77 MEN1 (0.41) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL30711387 0.77 HTT (0.39) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL25076785 0.76 GRIN2B (0.47) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL25076786 0.76 GRIN2B (0.47) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL29213808 0.76 GRIN2B (0.47) TSHRKDM4EALDH1A1GAAHPGD

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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