SCHEMBL31467631

SCHEMBL31467631

CNc1cccc(CN2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 14/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ ADORA2B P29275 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ RORC P51449 2/20 0.36

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
SCHEMBL31467569 0.82 KDM4E (0.42) TRPV4PTGS2
SCHEMBL31467643 0.82 CYP3A4 (0.47) TRPV4
SCHEMBL31467620 0.81 TRPV4 (0.41) TRPV4RORC
SCHEMBL31467598 0.81 TRPV4 (0.41) TRPV4RORC
SCHEMBL31467604 0.79 TRPV4 (0.40) TRPV4RORC
SCHEMBL31467644 0.79 TRPV4 (0.40) TRPV4ADORA2AADORA2BADORA1ADORA3
SCHEMBL25371906 0.79 TRPV4 (0.44) TRPV4
SCHEMBL30567044 0.79 TRPV4 (0.44) TRPV4
SCHEMBL31467641 0.78 TRPV4 (0.41) TRPV4RORC
SCHEMBL31467646 0.77 KMT2A (0.45) TRPV4PTGS2

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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