SCHEMBL11044734

SCHEMBL11044734

O=C1CCc2cc(C(=O)N3CCN(CCOc4ccccc4)CC3)ccc2N1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 6/20 0.59
DRD3 P35462 6/20 0.59
HTR2A P28223 1/20 0.54
NPC1 O15118 1/20 0.53
CRBN Q96SW2 1/20 0.53
KDM1A O60341 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51

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
Hydrochloric Acid SCHEMBL11041972 0.99 KCNA5 (0.61) KCNA5MEN1KMT2ADRD2DRD3
Hydrochloric Acid SCHEMBL11044917 0.94 DRD2 (0.57) KCNA5MEN1KMT2ADRD2DRD3
Hydrochloric Acid SCHEMBL11045592 0.93 DRD2 (0.61) KCNA5MEN1KMT2ADRD2DRD3
Hydrochloric Acid SCHEMBL11041142 0.92 DRD2 (0.60) KCNA5DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL11042505 0.92 KCNA5 (0.60) KCNA5MEN1KMT2ADRD2DRD3
SCHEMBL9825173 0.91 KCNA5 (0.64) KCNA5MEN1KMT2ADRD2DRD3
Hydrochloric Acid SCHEMBL11042650 0.89 DRD3 (0.66) KCNA5DRD2DRD3
Hydrochloric Acid SCHEMBL11048474 0.89 KMT2A (0.54) KCNA5MEN1KMT2ADRD2DRD3
SCHEMBL7346182 0.88 GRIN2B (0.56) KCNA5MEN1KMT2ADRD2DRD3
Hydrochloric Acid SCHEMBL11042167 0.84 DRD2 (0.55) KCNA5DRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US claimed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
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