SCHEMBL4685295

SCHEMBL4685295

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 7/20 0.66
KCNJ3 P48549 7/20 0.66
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KCNJ6 P48051 3/20 0.54
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CLK2 P49760 1/20 0.53
PRKX P51817 1/20 0.53
CAMK2D Q13557 1/20 0.53
PKN2 Q16513 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
STK17A Q9UEE5 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
P2RX4 Q99571 2/20 0.49
MAPK8 P45983 1/20 0.49

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
SCHEMBL96174 0.83 KCNJ5 (0.68) KCNJ5KCNJ3SMN1; SMN2L3MBTL1KCNJ6
SCHEMBL15741746 0.83 KCNJ5 (0.68) KCNJ5KCNJ3SMN1; SMN2KCNJ6MAPT
SCHEMBL30502369 0.80 KCNJ5 (0.68) KCNJ5KCNJ3SMN1; SMN2KCNJ6RAB9A
SCHEMBL27918532 0.80 EPHX2 (0.71) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL16887459 0.79 ALDH1A1 (0.76) KCNJ5KCNJ3SMN1; SMN2KCNJ6CLK2
SCHEMBL5237689 0.79 GCK (0.48) KCNJ5KCNJ3SMN1; SMN2MAPTRAB9A
SCHEMBL15741788 0.78 KCNJ5 (0.65) KCNJ5KCNJ3SMN1; SMN2KCNJ6RAB9A
SCHEMBL22353157 0.76 KCNJ5 (0.55) KCNJ5KCNJ3SMN1; SMN2L3MBTL1KCNJ6
SCHEMBL8632192 0.76 KCNQ2 (0.58) KCNJ5KCNJ3SMN1; SMN2KCNJ6RAB9A
SCHEMBL19576522 0.74 KCNJ5 (0.56) KCNJ5KCNJ3SMN1; SMN2L3MBTL1KCNJ6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
CN-1306935-C Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1183277-A Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 1998-06-03 CN disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed