SCHEMBL7570263

SCHEMBL7570263

O=C(Nc1ncccc1C(=O)Cl)c1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.50
KCNK9 Q9NPC2 4/20 0.50
RXFP1 Q9HBX9 2/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
PNLIP P16233 1/20 0.46
F2R P25116 1/20 0.46
DHODH Q02127 1/20 0.44
KDR P35968 2/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7501376 0.83 KMT2A (0.63) KCNK3KCNK9RXFP1KMT2AL3MBTL1
SCHEMBL249223 0.78 KCNK3 (0.49) KCNK3KCNK9RXFP1HCRTR1HCRTR2
SCHEMBL27724673 0.76 RXFP1 (0.58) KCNK3KCNK9RXFP1PNLIPF2R
SCHEMBL7493834 0.76 KMT2A (0.65) DHODHKMT2AL3MBTL1MEN1GAA
SCHEMBL5240399 0.76 MEN1 (0.49) KCNK3KCNK9RXFP1PNLIPF2R
SCHEMBL8801750 0.74 USP2 (0.47) DHODHKDRKMT2AL3MBTL1MEN1
SCHEMBL4753755 0.74 KCNK3 (0.72) KCNK3KCNK9RXFP1PNLIPF2R
SCHEMBL30211340 0.74 KCNK3 (0.72) KCNK3KCNK9RXFP1PNLIPF2R
SCHEMBL7568546 0.74 CHRNB2 (0.62) KMT2AL3MBTL1MEN1GAATP53
SCHEMBL8798493 0.73 USP2 (0.52) DHODHKDRKMT2AL3MBTL1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915876-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1999-05-19 EP disclosed
WO-1997049707-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed
WO-1997049708-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed