SCHEMBL25782852

SCHEMBL25782852

COC(=O)[C@H]1CCN(C(=O)c2ccn(C)c2CCCCOCc2cccc(Cl)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ THRB P10828 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL25782854 0.92 S1PR1 (0.40) ENPP2GAAKMT2ALMNAMAPT
SCHEMBL25783025 0.88 KMT2A (0.35) ALDH1A1GAACARM1PRMT6KMT2A
SCHEMBL25782990 0.79 NR4A2 (0.43) THRB
SCHEMBL25783159 0.76 S1PR1 (0.39) TSHRALDH1A1GAAKMT2ALMNA
SCHEMBL25782959 0.76 KMT2A (0.46) TSHRKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL25783158 0.75 S1PR1 (0.40) ENPP2GAAKMT2ALMNAMAPT
SCHEMBL25783157 0.75 S1PR1 (0.39) ENPP2GAAKMT2ALMNAMAPT
SCHEMBL25783069 0.74 S1PR1 (0.39) KDM4EKMT2AMEN1
SCHEMBL25772307 0.73 CYP4F2 (0.37) ALDH1A1GAAKMT2ALMNAMAPT
SCHEMBL25783018 0.71 ALDH1A1 (0.35) KDM4EALDH1A1GAAKMT2ASMN1; SMN2

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-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 — — WO disclosed
Send feedback