SCHEMBL8555635

SCHEMBL8555635

O=C(Cc1ccccc1)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
EPHX2 P34913 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NR4A1 P22736 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
NPY2R P49146 1/20 0.44

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
SCHEMBL8557995 0.85 KCNJ5 (0.47)
SCHEMBL8560730 0.85 POLB (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8556932 0.85 AVPR2 (0.48) KMT2AMEN1MAPT
SCHEMBL8557423 0.85 ACHE (0.51) RAB9AACHE
SCHEMBL8559361 0.85 ALDH1A1 (0.44) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9234962 0.83 AVPR1A (0.49) KMT2AMEN1
SCHEMBL8559312 0.79 AVPR1A (0.55)
SCHEMBL8558825 0.79 AVPR1A (0.53) KMT2AMEN1
SCHEMBL8556946 0.79 AVPR2 (0.55)
SCHEMBL8555591 0.79 AVPR2 (0.53)

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