SCHEMBL30711384

SCHEMBL30711384

O=C(O)c1ccc([C@@H]2CC(c3cnsc3)CCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.39
▸ P2RY14 Q15391 2/20 0.32
▸ MLYCD O95822 1/20 0.32
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ HCAR3 P49019 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR5 Q9H228 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
SCHEMBL30711285 0.82 HCAR2 (0.39) HCAR2P2RY14CCNA2CDK2CCNA1
SCHEMBL30711259 0.80 AKR1C3 (0.44) P2RY14CYP2D6
SCHEMBL30711220 0.80 HCAR2 (0.40) HCAR2P2RY14CYP2D6
SCHEMBL30711292 0.80 P2RY14 (0.42) P2RY14CYP2D6S1PR4S1PR1S1PR5
SCHEMBL30711363 0.79 HSD11B1 (0.38) P2RY14HCAR3
SCHEMBL30711375 0.79 HCAR2 (0.40) HCAR2P2RY14MLYCDCCNA2CDK2
SCHEMBL30711273 0.78 CHRNB2 (0.51) HCAR2CYP2D6HCAR3
SCHEMBL30711393 0.78 P2RY14 (0.31) P2RY14CCNA2CDK2CCNA1S1PR4
SCHEMBL30711191 0.77 HCAR2 (0.42) HCAR2P2RY14
SCHEMBL30711374 0.76 SLC6A7 (0.35) P2RY14HCAR3

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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