SCHEMBL8564493

SCHEMBL8564493

O=C(Cc1ccccc1Cl)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 4/20 0.46
KCNJ3 P48549 4/20 0.46
KCNQ2 O43526 1/20 0.43
THRB P10828 1/20 0.42
ROCK2 O75116 1/20 0.42
CLK2 P49760 1/20 0.41
PRKX P51817 1/20 0.41
CAMK2D Q13557 1/20 0.41
PKN2 Q16513 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
P2RX4 Q99571 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.39
KCNJ6 P48051 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 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
SCHEMBL8559426 0.88 KMT2A (0.46) ROCK2L3MBTL1
SCHEMBL8563203 0.86 MEN1 (0.47) SMN1; SMN2L3MBTL1NAMPTMAPT
SCHEMBL8560108 0.83 AVPR2 (0.38) NPC1MAPTRAB9A
SCHEMBL8559128 0.83 AVPR1A (0.37) MAPT
SCHEMBL8560617 0.83 AVPR1A (0.49) SMN1; SMN2L3MBTL1MAPTRAB9A
SCHEMBL8559231 0.83 AVPR2 (0.49)
SCHEMBL8558188 0.80 NPC1 (0.47) NPC1RAB9A
SCHEMBL8563655 0.79 AVPR1A (0.40) NPC1MAPTRAB9A
SCHEMBL8561396 0.79 AVPR2 (0.42) MAPT
SCHEMBL8563496 0.78 AVPR2 (0.56) NPC1MAPTRAB9A

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