SCHEMBL8564681

SCHEMBL8564681

O=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)c(Cl)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.42
AVPR1A P37288 9/20 0.42
JAK2 O60674 3/20 0.40
TYK2 P29597 3/20 0.40
JAK1 P23458 1/20 0.40
HPGD P15428 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
SCHEMBL8562470 0.92 AVPR2 (0.40) AVPR2AVPR1AJAK2TYK2JAK1
SCHEMBL8559867 0.91 RAB9A (0.47) AVPR2AVPR1A
SCHEMBL8556908 0.90 RAB9A (0.47) AVPR2AVPR1AJAK2JAK1
SCHEMBL8561432 0.88 AVPR2 (0.55) AVPR2AVPR1AJAK2TYK2JAK1
SCHEMBL8558246 0.88 AVPR2 (0.48) AVPR2AVPR1ATYK2HPGD
SCHEMBL8559231 0.87 AVPR2 (0.49) AVPR2AVPR1AJAK2TYK2JAK1
SCHEMBL8556938 0.87 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL8561421 0.87 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL8557265 0.86 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8561799 0.85 AVPR2 (0.59) AVPR2AVPR1AHPGD

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