SCHEMBL30711191

SCHEMBL30711191

Cn1cc(C2CCN[C@H](c3ccc(C(=O)O)cc3)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.42
▸ CHEK1 O14757 1/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ ADH5 P11766 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PROKR1 Q8TCW9 1/20 0.35
▸ P2RY14 Q15391 1/20 0.34
▸ SPR P35270 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ RCOR1 Q9UKL0 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33

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
SCHEMBL30711337 0.87 TSHR (0.41) HCAR2MAOAHDAC3HDAC4HDAC7
SCHEMBL30711182 0.87 TSHR (0.42) PROKR1P2RY14EGLN1KDM1AHSD17B10
SCHEMBL30711351 0.87 PROKR1 (0.40) PROKR1P2RY14KDM1A
SCHEMBL30711334 0.86 HCRTR1 (0.36) HSD11B1P2RY14HSD17B10
SCHEMBL30711318 0.85 L3MBTL1 (0.34) HCAR2CHEK1P2RY14EGLN1KDM1A
SCHEMBL30711285 0.81 HCAR2 (0.39) HCAR2P2RY14
SCHEMBL30711308 0.81 HCAR2 (0.44) HCAR2HDAC4P2RY14
SCHEMBL30711241 0.80 JMJD6 (0.37) CHEK1HSD11B1ADH5P2RY14
SCHEMBL30711259 0.79 AKR1C3 (0.44) P2RY14
SCHEMBL30711292 0.79 P2RY14 (0.42) P2RY14HSD17B10

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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