SCHEMBL11043383

SCHEMBL11043383

O=C(c1cccc2ccc(=O)[nH]c12)N1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
SIGMAR1 Q99720 6/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HRH4 Q9H3N8 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
FAAH O00519 1/20 0.48
ALOX15 P16050 1/20 0.47
KCNH2 Q12809 1/20 0.47
DRD4 P21917 1/20 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
SCHEMBL11045169 0.83 KMT2A (0.53) ALDH1A1SIGMAR1MEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL11043877 0.83 MAPK14 (0.54) KDM4EALDH1A1LMNASIGMAR1MEN1
SCHEMBL11062358 0.78 SIGMAR1 (0.58) KDM4EALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL5280593 0.78 HRH4 (0.58) KDM4EALDH1A1LMNASIGMAR1MEN1
Hydrochloric Acid SCHEMBL11039487 0.77 SIGMAR1 (0.57) KDM4EALDH1A1SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL11048433 0.77 PARP1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL9853919 0.76 SIGMAR1 (0.64) KDM4EALDH1A1LMNASIGMAR1MEN1
SCHEMBL11041128 0.75 RXFP1 (0.51) SIGMAR1HRH4DRD4
SCHEMBL13149475 0.74 NPC1 (0.73) KDM4EALDH1A1LMNASIGMAR1MEN1
SCHEMBL15961276 0.74 SIGMAR1 (0.91) KDM4EALDH1A1SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed