SCHEMBL8557450

SCHEMBL8557450

Fc1ccc2c(c1)CNc1ccccc1O2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
EGFR P00533 5/20 0.47
ALOX5 P09917 4/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCN9A Q15858 1/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 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
SCHEMBL9266460 0.87 GAA (0.67) GAANPSR1MEN1MAPTKMT2A
SCHEMBL1368071 0.81 GAA (1.00) GAANPSR1MEN1MAPTKMT2A
SCHEMBL8563763 0.81 NPSR1 (0.67) GAANPSR1MEN1MAPTKMT2A
SCHEMBL8560344 0.81 GAA (0.67) GAANPSR1MEN1MAPTKMT2A
SCHEMBL11538460 0.78 GAA (0.42) GAANPSR1MEN1MAPTKMT2A
SCHEMBL5783916 0.74 MAOA (0.65) GAANPSR1EGFRMAOAMAOB
SCHEMBL766354 0.74 ALOX5 (0.65) GAANPSR1MEN1MAPTKMT2A
SCHEMBL7345533 0.72 MAPT (0.56) GAANPSR1MEN1MAPTKMT2A
SCHEMBL6970933 0.71 NPSR1 (0.67) GAANPSR1MEN1MAPTKMT2A
SCHEMBL9266525 0.71 GAA (0.67) GAANPSR1MEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed