SCHEMBL31467597

SCHEMBL31467597

Cc1c[nH]cc1CN1CC2(C1)CN(S(=O)(=O)c1ccc(C(F)(F)F)nc1C)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.40
▸ BRS3 P32247 12/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ RORC P51449 3/20 0.34
▸ 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 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.32
▸ CD274 Q9NZQ7 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
SCHEMBL31467641 0.86 TRPV4 (0.41) TRPV4BRS3RORCALDH1A1CYP3A4
SCHEMBL31467644 0.85 TRPV4 (0.40) TRPV4BRS3NR1I2RORCCYP3A4
SCHEMBL31467601 0.83 TRPV4 (0.37) TRPV4BRS3NR1I2RORCALDH1A1
SCHEMBL25371906 0.83 TRPV4 (0.44) TRPV4BRS3NR1I2ALDH1A1GAA
SCHEMBL30567044 0.83 TRPV4 (0.44) TRPV4BRS3NR1I2ALDH1A1GAA
SCHEMBL31467629 0.82 TRPV4 (0.40) TRPV4BRS3NR1I2RORCCYP3A4
SCHEMBL31467643 0.82 CYP3A4 (0.47) TRPV4ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL31467621 0.82 TRPV4 (0.39) TRPV4RORCALDH1A1CYP3A4GAA
SCHEMBL31467576 0.81 TRPV4 (0.40) TRPV4BRS3NR1I2RORCCYP2D6
SCHEMBL31467604 0.81 TRPV4 (0.40) TRPV4BRS3NR1I2RORCCYP2D6

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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