SCHEMBL30711375

SCHEMBL30711375

O=C(O)c1ccc([C@@H]2CC(c3ccnnc3)CCN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.40
▸ P2RY14 Q15391 3/20 0.35
▸ HDAC4 P56524 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ S1PR4 O95977 2/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ S1PR5 Q9H228 2/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 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
SCHEMBL30711292 0.86 P2RY14 (0.42) P2RY14KDM4EKMT2AS1PR4S1PR1
SCHEMBL30711273 0.84 CHRNB2 (0.51) HCAR2KDM4EKMT2ASMN1; SMN2L3MBTL1
SCHEMBL30711285 0.83 HCAR2 (0.39) HCAR2P2RY14KMT2ASMN1; SMN2CHRNB2
SCHEMBL30711259 0.81 AKR1C3 (0.44) P2RY14CYP2D6
SCHEMBL30711363 0.80 HSD11B1 (0.38) P2RY14HSD11B1HCAR3
SCHEMBL30711374 0.80 SLC6A7 (0.35) P2RY14KDM4EGLAHTTKMT2A
SCHEMBL30711384 0.79 HCAR2 (0.39) HCAR2P2RY14S1PR4S1PR1S1PR5
SCHEMBL30711200 0.78 KDM5A (0.34) P2RY14HDAC4CHRNB2CHRNA4CHRNA7
SCHEMBL30711353 0.78 CAMKK2 (0.35) P2RY14KDM4EGLAHTTKMT2A
SCHEMBL30711191 0.78 HCAR2 (0.42) HCAR2P2RY14HDAC4L3MBTL1HSD11B1

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
Send feedback