SCHEMBL8935262

SCHEMBL8935262

NC(=O)CC(N)Cc1ccc(OCc2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.54
GPR132 Q9UNW8 6/20 0.54
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MMP13 P45452 1/20 0.49
LTA4H P09960 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
CMKLR2 P46091 1/20 0.46
CMKLR1 Q99788 1/20 0.46
PLG P00747 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DPP4 P27487 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL8935335 0.85 MAOB (0.53) LTA4HDPP4
SCHEMBL31688840 0.82 GPR132 (0.61) ACACBGPR132CYP19A1CYP11B1CYP11B2
SCHEMBL8935407 0.80 PARP10 (0.61) ACACBGPR132LTA4HSMN1; SMN2MAPK1
SCHEMBL8935239 0.78 MAOB (0.63)
SCHEMBL7395944 0.78 MAOB (0.59)
SCHEMBL23488238 0.78 PARP10 (0.68) GPR132CYP19A1CYP11B1CYP11B2HTT
SCHEMBL7337381 0.77 ACACB (0.56) ACACBGPR132CYP19A1CYP11B1CYP11B2
SCHEMBL7337394 0.77 ACACB (0.56) ACACBGPR132CYP19A1CYP11B1CYP11B2
SCHEMBL28048524 0.77 MAPK1 (0.64) ACACBGPR132CYP19A1CYP11B1CYP11B2
SCHEMBL2736161 0.76 ACACB (0.60) ACACBGPR132CYP19A1CYP11B1CYP11B2

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed