SCHEMBL30711353

SCHEMBL30711353

O=C(O)c1ccc([C@@H]2CC(c3ccncn3)CCN2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 1/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ NAPRT Q6XQN6 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ GSK3B P49841 10/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL29149002 0.84 ESR1 (0.40) KDM4E
SCHEMBL30711256 0.84 ESR1 (0.40) KDM4E
SCHEMBL30711292 0.84 P2RY14 (0.42) P2RY14NAPRTKDM4EKMT2A
SCHEMBL30711285 0.81 HCAR2 (0.39) P2RY14KMT2ASMN1; SMN2
SCHEMBL30711374 0.80 SLC6A7 (0.35) CAMKK2P2RY14KDM4EGLAHTT
SCHEMBL30711371 0.80 P2RY14 (0.36) P2RY14KDM5ASMN1; SMN2
SCHEMBL30711273 0.80 CHRNB2 (0.51) KDM4EKMT2ASMN1; SMN2L3MBTL1
SCHEMBL30711200 0.79 KDM5A (0.34) P2RY14KDM5A
SCHEMBL30711375 0.78 HCAR2 (0.40) P2RY14KDM4EGLAHTTKMT2A
SCHEMBL30711259 0.77 AKR1C3 (0.44) P2RY14

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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