SCHEMBL31467601

SCHEMBL31467601

COc1c(CN2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C3)cnn1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.37
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ CYP2D6 P10635 5/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RORC P51449 3/20 0.33
▸ BRS3 P32247 7/20 0.33
▸ TSHR P16473 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL31467632 0.86 TRPV4 (0.38) TRPV4CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL31467597 0.83 TRPV4 (0.40) TRPV4CYP3A4CYP2C9CYP2C19PDCD1LG2
SCHEMBL31467641 0.83 TRPV4 (0.41) TRPV4CYP3A4CYP2C9CYP2C19USP2
SCHEMBL31467604 0.81 TRPV4 (0.40) TRPV4CYP2D6RORCBRS3NR1I2
SCHEMBL31467606 0.79 PTGS1 (0.39) TRPV4RORC
SCHEMBL31467634 0.79 TRPV4 (0.39) TRPV4
SCHEMBL31467635 0.79 TRPV4 (0.39) TRPV4CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL31467621 0.79 TRPV4 (0.39) TRPV4CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL25371906 0.78 TRPV4 (0.44) TRPV4CYP2D6GAAALDH1A1BRS3
SCHEMBL30567044 0.78 TRPV4 (0.44) TRPV4CYP2D6GAAALDH1A1BRS3

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