SCHEMBL31467636

SCHEMBL31467636

Cc1nc(CN2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C3)co1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ PTGS2 P35354 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ PARG Q86W56 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ BRS3 P32247 4/20 0.32
▸ ENPP2 Q13822 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.31
▸ RORC P51449 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ NR1I2 O75469 1/20 0.30

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
SCHEMBL31467646 0.82 KMT2A (0.45) TRPV4PTGS2MAPTUSP2POLB
SCHEMBL31467645 0.82 KMT2A (0.45) TRPV4PTGS2MAPTUSP2POLB
SCHEMBL31467610 0.82 ALDH1A1 (0.46) TRPV4PTGS2POLB
SCHEMBL25371906 0.82 TRPV4 (0.44) TRPV4BRS3POLBCYP2D6NR1I2
SCHEMBL30567044 0.82 TRPV4 (0.44) TRPV4BRS3POLBCYP2D6NR1I2
SCHEMBL31467612 0.82 TRPV4 (0.39) TRPV4BRS3RORCCYP2D6NR1I2
SCHEMBL31467641 0.81 TRPV4 (0.41) TRPV4BRS3USP2CYP3A4RORC
SCHEMBL31467643 0.81 CYP3A4 (0.47) TRPV4USP2CYP3A4TP53POLB
SCHEMBL31467620 0.80 TRPV4 (0.41) TLR7TRPV4USP2CYP3A4RORC
SCHEMBL31467598 0.80 TRPV4 (0.41) TRPV4BRS3USP2CYP3A4RORC

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
Send feedback