SCHEMBL29920615

SCHEMBL29920615

CNN(C1CCOc2cc(F)ccc21)[SH](=O)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.41
▸ KDM4C Q9H3R0 5/20 0.38
▸ TRPV1 Q8NER1 2/20 0.36
▸ NTRK1 P04629 1/20 0.33
▸ KDM6B O15054 2/20 0.33
▸ MAPK1 P28482 3/20 0.32
▸ MAP3K14 Q99558 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.32

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
SCHEMBL19658610 0.76 ADRA2A (0.42) ADRA2AKDM4CTRPV1NTRK1KDM6B
SCHEMBL29920817 0.73 ADRA2A (0.47) ADRA2AKDM4CTRPV1NTRK1MAPK1
SCHEMBL19652243 0.73 DPP4 (0.41) ADRA2AKDM4CTRPV1NTRK1KDM6B
SCHEMBL24593571 0.70 ADRA2A (0.50) ADRA2AKDM4CTRPV1NTRK1MAP3K14
SCHEMBL12651543 0.70 ADRA2A (0.50) ADRA2AKDM4CTRPV1NTRK1MAP3K14
SCHEMBL12828517 0.70 ADRA2A (0.50) ADRA2AKDM4CTRPV1NTRK1MAP3K14
SCHEMBL3555891 0.70 ADRA2A (0.50) ADRA2AKDM4CTRPV1MAP3K14SLC6A4
SCHEMBL29920509 0.70 ADRA2A (0.38) ADRA2AKDM4CTRPV1NTRK1KDM6B
SCHEMBL27830379 0.70 ADRA2A (0.47) ADRA2AKDM4CTRPV1NTRK1MAP3K14
SCHEMBL1569667 0.68 KDM4C (0.43) ADRA2AKDM4CTRPV1NTRK1

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-2022217248-A1 SUBSTITUTED SULFONAMIDE-CHROMAN COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 — — WO disclosed
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