SCHEMBL8559570

SCHEMBL8559570

Cc1sccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.55
AVPR2 P30518 8/20 0.55
OXTR P30559 2/20 0.54
AVPR1B P47901 2/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8564490 0.86 AVPR1A (0.53) AVPR1AAVPR2OXTRAVPR1BKMT2A
SCHEMBL8556989 0.86 AVPR1A (0.72) AVPR1AAVPR2OXTR
SCHEMBL8820429 0.86 AVPR1A (0.69) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8558930 0.85 AVPR2 (0.60) AVPR1AAVPR2OXTRKMT2ANPC1
SCHEMBL8557460 0.84 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL8564664 0.84 NAMPT (0.47) AVPR1AAVPR2OXTRAVPR1BKMT2A
SCHEMBL8563752 0.83 ALDH1A1 (0.57) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8558289 0.83 AVPR2 (0.60) AVPR1AAVPR2OXTRRAB9A
SCHEMBL8561545 0.83 MEN1 (0.74) AVPR1AAVPR2OXTRKMT2AMEN1
SCHEMBL8556628 0.83 AVPR2 (0.53) AVPR1AAVPR2OXTRKMT2AMEN1

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