SCHEMBL30711241

SCHEMBL30711241

Cn1ccc(C2CCN[C@H](c3ccc(C(=O)O)cc3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 3/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ HCRTR2 O43614 3/20 0.34
▸ AR P10275 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ ADH5 P11766 1/20 0.32
▸ P2RY14 Q15391 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL30711191 0.80 HCAR2 (0.42) CHEK1ADH5P2RY14HSD11B1
SCHEMBL30711308 0.78 HCAR2 (0.44) P2RY14USP2KDM2BKDM4CPDE4D
SCHEMBL30711342 0.77 IDO1 (0.38) P2RY14
SCHEMBL30711371 0.77 P2RY14 (0.36) P2RY14HSD11B1
SCHEMBL29149002 0.76 ESR1 (0.40) DDB1CRBNKDM4C
SCHEMBL30711256 0.76 ESR1 (0.40) DDB1CRBNKDM4C
SCHEMBL30711259 0.76 AKR1C3 (0.44) P2RY14
SCHEMBL30711200 0.75 KDM5A (0.34) P2RY14
SCHEMBL30711285 0.75 HCAR2 (0.39) P2RY14
SCHEMBL30711292 0.75 P2RY14 (0.42) P2RY14KDM4C

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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