SCHEMBL7292853

SCHEMBL7292853

CN(Cc1ccccc1)C1CCN(C(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.55
KMT2A Q03164 1/20 0.49
EPHX1 P07099 1/20 0.48
ACHE P22303 1/20 0.48
LTA4H P09960 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
DRD4 P21917 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MGLL Q99685 1/20 0.46
MCHR1 Q99705 1/20 0.46
AGTR2 P50052 2/20 0.46

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
SCHEMBL7472599 0.88 L3MBTL3 (0.52) L3MBTL3KMT2AEPHX1ACHECA12
SCHEMBL13844891 0.82 L3MBTL3 (0.48) L3MBTL3LTA4HCA12CA1CA2
SCHEMBL785972 0.82 JAK2 (0.54) KMT2ALTA4HJAK2JAK1MCHR1
SCHEMBL30981172 0.81 SMN1; SMN2 (0.57) KMT2ALTA4HJAK2JAK1
SCHEMBL7376383 0.81 LTA4H (0.51) L3MBTL3KMT2AACHELTA4HJAK2
SCHEMBL7280301 0.80 LTA4H (0.63) KMT2ALTA4HJAK2JAK1MCHR1
SCHEMBL7461457 0.80 GPR119 (0.50) L3MBTL3KMT2ALTA4HJAK2JAK1
SCHEMBL14095870 0.80 L3MBTL3 (0.46) L3MBTL3KMT2ALTA4HL3MBTL1HRH3
SCHEMBL3399465 0.80 L3MBTL3 (0.84) L3MBTL3KMT2AACHECA12CA1
SCHEMBL13410395 0.80 L3MBTL3 (0.48) L3MBTL3CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed