SCHEMBL8558316

SCHEMBL8558316

CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.61
AVPR1A P37288 4/20 0.61
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
OXTR P30559 1/20 0.52

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
SCHEMBL7340853 0.88 GAA (0.54) AVPR2AVPR1AGAARAB9ASMN1; SMN2
SCHEMBL8560800 0.86 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL8558993 0.84 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8556275 0.83 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL7333136 0.83 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL8560873 0.82 ACHE (0.60) AVPR2AVPR1ARAB9A
SCHEMBL7369344 0.82 AVPR2 (0.70) AVPR2AVPR1AOXTR
SCHEMBL8564269 0.82 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8562029 0.81 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8561438 0.81 AVPR2 (0.59) 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