SCHEMBL25146128

SCHEMBL25146128

O=C1CCC2(CN(C(=O)N3CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)C2)N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.49
▸ CHRM1 P11229 1/20 0.45
▸ SPR P35270 1/20 0.42
▸ LIPE Q05469 4/20 0.42
▸ AKR1C3 P42330 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ GSPT1 P15170 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 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
SCHEMBL30409361 0.91 MGLL (0.43) MGLLCHRM1SPRLIPEAKR1C3
SCHEMBL25145990 0.85 CHRM1 (0.44) MGLLCHRM1SPRLIPEAKR1C3
SCHEMBL25146250 0.83 MGLL (0.46) MGLLSPRLIPEMEN1KMT2A
SCHEMBL25146248 0.82 SCN9A (0.47) MGLLAKR1C3MEN1KMT2AALDH1A1
SCHEMBL18711904 0.76 CHRM1 (0.54) CHRM1SPRLIPEAKR1C3MEN1
SCHEMBL18702270 0.75 CHRM1 (0.53) CHRM1SPRLIPEAKR1C3MEN1
SCHEMBL30409535 0.75 CHRM1 (0.40) MGLLCHRM1SPRLIPEAKR1C3
SCHEMBL30408615 0.74 DPP4 (0.41) MGLLSPRLIPEAKR1C3MEN1
SCHEMBL30408465 0.74 SCN9A (0.41) MGLLAKR1C3MEN1KMT2AKDM2B
SCHEMBL25145978 0.72 MGLL (0.46) MGLLAKR1C3RORCDDB1CRBN

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-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO disclosed
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