SCHEMBL23966858

SCHEMBL23966858

CC(C)(C)OC(=O)N1CCC(n2nc(CCO)c3ccccc3c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
ADRA1A P35348 3/20 0.45
HRH1 P35367 3/20 0.45
ADRA1B P35368 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
GPR119 Q8TDV5 3/20 0.44
DTYMK P23919 2/20 0.44
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCD Q05655 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CHRM1 P11229 3/20 0.43

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
SCHEMBL23914636 0.88 SMN1; SMN2 (0.50) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23914934 0.86 LMNA (0.51) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL2995095 0.84 ADRA1A (0.69) LMNASMN1; SMN2ADRA1AHRH1ADRA1B
SCHEMBL23909121 0.82 NPC1 (0.47) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL2820393 0.81 ADRA1A (0.68) LMNASMN1; SMN2ADRA1AHRH1ADRA1B
SCHEMBL23908931 0.81 NPC1 (0.47) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23914926 0.77 MAPT (0.48) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL26981264 0.77 TP53 (0.39) GPR119TP53STS
SCHEMBL14636611 0.77 GPR119 (0.53) LMNAGPR119DTYMKPRKCGPRKCB
SCHEMBL1990506 0.76 CHRM2 (0.47) LMNASMN1; SMN2NPC1NR2F2HTT

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-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed