SCHEMBL8563728

SCHEMBL8563728

COc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4ccccc4Cc4cc(Cl)ccc43)cc2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.55
AVPR1A P37288 3/20 0.55
MAPT P10636 3/20 0.53
ACHE P22303 2/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NAMPT P43490 1/20 0.47

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
SCHEMBL8557374 0.95 AVPR2 (0.58) AVPR2AVPR1AACHE
SCHEMBL8561595 0.91 ACHE (0.61) AVPR2AVPR1AACHE
SCHEMBL8557743 0.90 AVPR2 (0.64) AVPR2AVPR1AACHE
SCHEMBL8562909 0.86 ACHE (0.52) AVPR2AVPR1AACHERAB9A
SCHEMBL8562554 0.85 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8559508 0.83 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8556841 0.83 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8559571 0.83 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8558900 0.82 AVPR2 (0.65) AVPR2AVPR1AMEN1KMT2A
SCHEMBL8559877 0.82 AVPR2 (0.53) AVPR2AVPR1AACHE

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