SCHEMBL8560419

SCHEMBL8560419

Cc1occc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.52
AVPR1A P37288 4/20 0.52
OXTR P30559 1/20 0.47
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8565429 0.87 GRM1 (0.51) AVPR2AVPR1A
SCHEMBL8559251 0.87 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL7338784 0.85 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL8564021 0.85 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8558605 0.84 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL8563255 0.84 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8563237 0.84 AVPR1A (0.59) AVPR2AVPR1AOXTR
SCHEMBL8557423 0.83 ACHE (0.51) AVPR2AVPR1ARAB9A
SCHEMBL8556946 0.83 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL8559312 0.83 AVPR1A (0.55) 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 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