SCHEMBL25022847

SCHEMBL25022847

Bc1c(CC(N)C(=O)NC(Cc2ccc(F)cc2)C(=O)OCC)ccc(N(CCCl)CCCl)c1B

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ NOS2 P35228 5/20 0.35
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL25022336 0.84 LMNA (0.43) LMNANOS2NOS3NOS1OPRK1
Melphalan Flufenamide SCHEMBL20208719 0.84 LMNA (0.53) LMNANOS2NOS3NOS1OPRK1
Melphalan Flufenamide SCHEMBL24101233 0.84 LMNA (0.53) LMNANOS2NOS3NOS1OPRK1
Melphalan Flufenamide SCHEMBL18239898 0.84 LMNA (0.53) LMNANOS2NOS3NOS1OPRK1
Melphalan Flufenamide SCHEMBL29375249 0.83 LMNA (0.52) LMNANOS2NOS3NOS1OPRK1
SCHEMBL25022665 0.82 LMNA (0.40) LMNANOS2NOS3NOS1OPRK1
SCHEMBL6838403 0.80 LMNA (0.47) LMNANOS2NOS3NOS1OPRK1
SCHEMBL10653540 0.80 LMNA (0.47) LMNANOS2NOS3NOS1OPRK1
SCHEMBL24100557 0.79 LMNA (0.44) LMNANOS2NOS3NOS1OPRK1
SCHEMBL24251989 0.79 LMNA (0.47) LMNANOS2NOS3NOS1CYP3A4

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
EP-3866931-B1 COMPOUNDS CONTAINING DEUTERIUM ONCOPEPTIDES AB (SE) 2023-02-15 — — EP disclosed
Send feedback