SCHEMBL26066057

SCHEMBL26066057

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC2(F)CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CNR1 P21554 5/20 0.36
▸ CNR2 P34972 5/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL26065732 0.90 TRPV4 (0.39) TRPV4NPC1ALDH1A1GAACYP3A4
SCHEMBL26065205 0.89 SMN1; SMN2 (0.43) TRPV4NPC1ALDH1A1GAACYP3A4
SCHEMBL25371768 0.88 TRPV4 (0.40) KCNH2TRPV4CASP3OPRM1SIGMAR1
SCHEMBL30567027 0.88 TRPV4 (0.40) KCNH2TRPV4CASP3OPRM1SIGMAR1
SCHEMBL26065808 0.83 TRPV4 (0.40) TRPV4NPC1ALDH1A1GAACYP3A4
SCHEMBL26065214 0.83 KDM4E (0.41) TRPV4ALDH1A1KDM4ECASP3CNR1
SCHEMBL26065772 0.82 TRPV4 (0.40) TRPV4ALDH1A1GAACYP3A4CYP2D6
SCHEMBL26065199 0.81 TRPV4 (0.37) TRPV4ALDH1A1GAACYP3A4CYP2D6
SCHEMBL26065889 0.80 EBP (0.44) KCNH2TRPV4CNR1CNR2
SCHEMBL26065980 0.80 POLB (0.54) TRPV4ALDH1A1GAACYP3A4CYP2D6

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-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 — — WO disclosed
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