SCHEMBL31467641

SCHEMBL31467641

Cc1ccc(CN2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C3)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.41
▸ BRS3 P32247 1/20 0.38
▸ RORC P51449 7/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2C9 P11712 4/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ USP2 O75604 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
SCHEMBL31467597 0.86 TRPV4 (0.40) TRPV4BRS3RORCNR1H2NR1H3
SCHEMBL30567044 0.85 TRPV4 (0.44) TRPV4BRS3ALDH1A1GAACYP2D6
SCHEMBL25371906 0.85 TRPV4 (0.44) TRPV4BRS3ALDH1A1GAACYP2D6
SCHEMBL31467643 0.83 CYP3A4 (0.47) TRPV4CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL31467621 0.83 TRPV4 (0.39) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467635 0.83 TRPV4 (0.39) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467601 0.83 TRPV4 (0.37) TRPV4BRS3RORCCYP3A4CYP2C9
SCHEMBL31467620 0.82 TRPV4 (0.41) TRPV4RORCCYP3A4CYP2C9CYP2C19
SCHEMBL31467598 0.82 TRPV4 (0.41) TRPV4BRS3RORCCYP3A4CYP2C9
SCHEMBL31467632 0.82 TRPV4 (0.38) 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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