SCHEMBL8557861

SCHEMBL8557861

CN(C(=O)Cc1ccccc1)c1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.45
AVPR2 P30518 7/20 0.45
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 3/20 0.40
OXTR P30559 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8564026 0.86 AVPR1A (0.43) AVPR1AAVPR2ALDH1A1NPC1RAB9A
SCHEMBL8560422 0.85 AVPR1A (0.42) AVPR1AAVPR2ALDH1A1NPC1RAB9A
SCHEMBL8558210 0.84 AVPR1A (0.44) AVPR1AAVPR2ALDH1A1NPC1RAB9A
SCHEMBL8559812 0.84 MEN1 (0.46) AVPR1AAVPR2ALDH1A1RAB9AKMT2A
SCHEMBL8562373 0.83 AVPR1A (0.45) AVPR1AAVPR2ALDH1A1NPC1RAB9A
SCHEMBL7335414 0.83 AVPR1A (0.64) AVPR1AAVPR2
SCHEMBL8561629 0.78 AVPR2 (0.52) AVPR1AAVPR2NPC1RAB9AKMT2A
SCHEMBL8557866 0.77 AVPR1A (0.47) AVPR1AAVPR2ALDH1A1NPC1RAB9A
SCHEMBL8559548 0.77 POLB (0.51) AVPR1AAVPR2ALDH1A1HPGD
SCHEMBL8561685 0.77 AVPR1A (0.44) AVPR1AAVPR2NPC1RAB9AKMT2A

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