SCHEMBL8557851

SCHEMBL8557851

O=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
TP53 P04637 4/20 0.48
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
AKT1 P31749 1/20 0.40
POLB P06746 1/20 0.40
AURKA O14965 1/20 0.39
TLR8 Q9NR97 1/20 0.39
RET P07949 1/20 0.39
GPR27 Q9NS67 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8561230 0.89 AVPR1A (0.46) MAPTTP53AVPR2AVPR1APOLB
SCHEMBL8557883 0.87 MEN1 (0.50) MAPTTP53AVPR2AVPR1AAKT1
SCHEMBL8559689 0.86 LMNA (0.53) MAPTRXFP1POLBLMNAMEN1
SCHEMBL8558194 0.85 AKT1 (0.52) MAPTTP53AKT1AURKALMNA
SCHEMBL8562066 0.85 AURKA (0.47) MAPTTP53AVPR2AVPR1ARXFP1
SCHEMBL8562449 0.84 AVPR2 (0.46) TP53AVPR2AVPR1ARXFP1AURKA
SCHEMBL8559861 0.84 AURKA (0.47) AVPR2AVPR1AAKT1AURKARET
SCHEMBL8559885 0.83 AVPR2 (0.46) AVPR2AVPR1AAURKA
SCHEMBL8562616 0.81 ITGB1 (0.40) TP53AVPR2AVPR1AAKT1MEN1
SCHEMBL8557390 0.81 AVPR2 (0.52) AVPR2AVPR1A

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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed