SCHEMBL31467632

SCHEMBL31467632

CCc1c(CN2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C3)cnn1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.38
▸ RORC P51449 9/20 0.34
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL31467601 0.86 TRPV4 (0.37) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467635 0.83 TRPV4 (0.39) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467597 0.82 TRPV4 (0.40) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467641 0.82 TRPV4 (0.41) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467621 0.81 TRPV4 (0.39) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467604 0.81 TRPV4 (0.40) TRPV4RORCCYP2D6
SCHEMBL25371906 0.81 TRPV4 (0.44) TRPV4ALDH1A1GAACYP2D6
SCHEMBL30567044 0.81 TRPV4 (0.44) TRPV4ALDH1A1GAACYP2D6
SCHEMBL31467598 0.79 TRPV4 (0.41) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467620 0.79 TRPV4 (0.41) TRPV4RORCCYP3A4CYP2C9CYP2C19

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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