SCHEMBL26065199

SCHEMBL26065199

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC23CCOC(C)(C2)C3)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.37
▸ ALDH1A1 P00352 2/20 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
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ BRS3 P32247 5/20 0.33
▸ CXCR3 P49682 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL26065180 0.90 TRPV4 (0.38) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL27346583 0.90 TRPV4 (0.40) TRPV4BRS3CXCR3
SCHEMBL30719473 0.90 TRPV4 (0.40) TRPV4BRS3CXCR3
SCHEMBL25370981 0.89 TRPV4 (0.38) TRPV4BRS3
SCHEMBL30567105 0.89 TRPV4 (0.38) TRPV4BRS3
SCHEMBL26065772 0.83 TRPV4 (0.40) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL26065732 0.82 TRPV4 (0.39) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL26066057 0.81 KCNH2 (0.43) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL26065201 0.80 KMT2A (0.38) TRPV4ALDH1A1KDM4EKMT2AMEN1
SCHEMBL26065808 0.80 TRPV4 (0.40) TRPV4ALDH1A1CYP3A4GAACYP2D6

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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