SCHEMBL8625976

SCHEMBL8625976

C1=CC2=C(CC1)Cc1ccccc1NC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AHR P35869 1/20 0.33
PDK2 Q15119 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HK1 P19367 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33

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
SCHEMBL8663476 0.77 CYP1A2 (0.34)
SCHEMBL9448441 0.75 MAPT (0.44) ALOX15HSD17B10GAAAHRPDK2
SCHEMBL3840834 0.74 CYP2A6 (0.41)
Ammonia Solution, Strong SCHEMBL26977357 0.73 MAPT (0.43) ALOX15HSD17B10GAAAHRPDK2
SCHEMBL19393672 0.70 MAPT (0.43) ALOX15HSD17B10GAAAHRPDK2
SCHEMBL29520167 0.67 CYP2A6 (0.41)
SCHEMBL2087881 0.67 ALOX15 (1.00) ALOX15HSD17B10GAANPSR1AHR
SCHEMBL31546300 0.67 ALOX15 (1.00) ALOX15HSD17B10GAANPSR1AHR
SCHEMBL1828551 0.65
SCHEMBL2041999 0.65

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