SCHEMBL31467620

SCHEMBL31467620

Cc1ncc(CN2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C3)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.41
▸ RORC P51449 8/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ CYP2D6 P10635 4/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL31467598 0.90 TRPV4 (0.41) TRPV4RORCCYP2D6CYP3A4USP2
SCHEMBL31467606 0.87 PTGS1 (0.39) TRPV4RORCTLR7PIK3CAPPARD
SCHEMBL31467643 0.87 CYP3A4 (0.47) TRPV4CYP2D6CYP3A4USP2CNR1
SCHEMBL31467604 0.86 TRPV4 (0.40) TRPV4RORCCYP2D6
SCHEMBL31467569 0.85 KDM4E (0.42) TRPV4CYP2D6USP2ALDH1A1
SCHEMBL31467644 0.84 TRPV4 (0.40) TRPV4RORCCYP2D6CYP3A4USP2
SCHEMBL25371906 0.84 TRPV4 (0.44) TRPV4CYP2D6ALDH1A1
SCHEMBL30567044 0.84 TRPV4 (0.44) TRPV4CYP2D6ALDH1A1
SCHEMBL31467616 0.83 TRPV4 (0.39) TRPV4RORCCYP2D6
SCHEMBL31467629 0.83 TRPV4 (0.40) TRPV4RORCCYP3A4USP2

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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