SCHEMBL31467635

SCHEMBL31467635

CCc1cnccc1CN1CC2(C1)CN(S(=O)(=O)c1ccc(C(F)(F)F)nc1C)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.39
▸ RORC P51449 8/20 0.35
▸ CYP2C9 P11712 6/20 0.35
▸ CYP2C19 P33261 6/20 0.35
▸ CNR1 P21554 4/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ PTGS2 P35354 3/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ GAA P10253 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
SCHEMBL31467643 0.85 CYP3A4 (0.47) TRPV4CYP2C9CYP2C19CNR1CYP3A4
SCHEMBL31467569 0.84 KDM4E (0.42) TRPV4PTGS2ALDH1A1CYP2D6
SCHEMBL31467632 0.83 TRPV4 (0.38) TRPV4RORCCYP2C9CYP2C19CNR1
SCHEMBL31467641 0.83 TRPV4 (0.41) TRPV4RORCCYP2C9CYP2C19CNR1
SCHEMBL31467621 0.83 TRPV4 (0.39) TRPV4RORCCYP2C9CYP2C19CNR1
SCHEMBL25371906 0.83 TRPV4 (0.44) TRPV4ALDH1A1CYP2D6GAA
SCHEMBL30567044 0.83 TRPV4 (0.44) TRPV4ALDH1A1CYP2D6GAA
SCHEMBL31467598 0.82 TRPV4 (0.41) TRPV4RORCCYP2C9CYP2C19CYP3A4
SCHEMBL31467597 0.82 TRPV4 (0.40) TRPV4RORCCYP2C9CYP2C19CYP3A4
SCHEMBL31467620 0.81 TRPV4 (0.41) TRPV4RORCCYP2C9CYP2C19CNR1

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-2025049275-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2025-03-06 — — WO disclosed
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