SCHEMBL8559231

SCHEMBL8559231

O=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.49
AVPR1A P37288 2/20 0.49
JAK2 O60674 1/20 0.43
CYP3A4 P08684 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL8560617 0.90 AVPR1A (0.49) AVPR2AVPR1AJAK2TYK2
SCHEMBL8558188 0.89 NPC1 (0.47) AVPR2AVPR1AJAK2KMT2A
SCHEMBL8564681 0.87 AVPR2 (0.42) AVPR2AVPR1AJAK2JAK1TYK2
SCHEMBL8562470 0.86 AVPR2 (0.40) AVPR2AVPR1AJAK2JAK1TYK2
SCHEMBL8561396 0.85 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL8563047 0.85 AVPR1A (0.51) AVPR1AKMT2A
SCHEMBL8563496 0.84 AVPR2 (0.56) AVPR2AVPR1AKMT2A
SCHEMBL8558117 0.84 AVPR2 (0.47) AVPR2AVPR1AJAK2JAK1TYK2
SCHEMBL8562616 0.84 ITGB1 (0.40) AVPR2AVPR1AJAK2JAK1TYK2
SCHEMBL8562938 0.83 AVPR2 (0.45) 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 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