SCHEMBL26065983

SCHEMBL26065983

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC[C@@H]2COC(C)(C)O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.38
▸ HTR7 P34969 5/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 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
SCHEMBL30567037 0.89 TRPV4 (0.39) TRPV4TMEM97SIGMAR1ALDH1A1
SCHEMBL25369115 0.89 TRPV4 (0.39) TRPV4TMEM97SIGMAR1ALDH1A1
SCHEMBL25369108 0.89 TRPV4 (0.39) TRPV4TMEM97SIGMAR1ALDH1A1
SCHEMBL26066052 0.82 DRD2 (0.44) TRPV4HTR7KMT2AMEN1ALDH1A1
SCHEMBL26065891 0.77 TRPV4 (0.41) TRPV4KMT2AMEN1ALDH1A1MAPT
SCHEMBL26065980 0.76 POLB (0.54) TRPV4KMT2AMEN1ALDH1A1MAPT
SCHEMBL26065808 0.75 TRPV4 (0.40) TRPV4KMT2AMEN1ALDH1A1MAPT
SCHEMBL26066053 0.75 L3MBTL1 (0.45) TRPV4KMT2AMEN1ALDH1A1MAPT
SCHEMBL26065180 0.74 TRPV4 (0.38) TRPV4KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL26065772 0.74 TRPV4 (0.40) TRPV4KMT2AMEN1ALDH1A1CYP3A4

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-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 — — WO disclosed
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