SCHEMBL27346590

SCHEMBL27346590

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H]2CN(C(=O)C34CCOC(C)(C3)C4)C[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.39
▸ PDE2A O00408 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CCR5 P51681 2/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ BRS3 P32247 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
SCHEMBL30719552 1.00 TRPV4 (0.39) TRPV4PDE2AKMT2ACTSSCCR5
SCHEMBL30719563 1.00 TRPV4 (0.39) TRPV4PDE2AKMT2ACTSSCCR5
SCHEMBL30719527 0.91 TRPV4 (0.40) TRPV4PDE2AKMT2ACTSSCCR5
SCHEMBL27346613 0.91 TRPV4 (0.40) TRPV4PDE2AKMT2ACTSSCCR5
SCHEMBL26065201 0.90 KMT2A (0.38) TRPV4KMT2ALMNA
SCHEMBL25370116 0.88 TRPV4 (0.37) TRPV4PDE2AKMT2A
SCHEMBL30567075 0.88 TRPV4 (0.37) TRPV4PDE2AKMT2A
SCHEMBL27346587 0.83 PDE2A (0.32) PDE2A
SCHEMBL30719473 0.81 TRPV4 (0.40) TRPV4BRS3
SCHEMBL27346583 0.81 TRPV4 (0.40) TRPV4BRS3

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-2024015503-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-18 — — WO disclosed
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