SCHEMBL9309822

SCHEMBL9309822

O=CN(c1ccc2c(c1)CCC(=O)N2)C1CCN(CC(O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.48
▸ KCNH2 Q12809 3/20 0.46
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ OGT O15294 3/20 0.40
▸ CHRM3 P20309 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38

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 SCHEMBL7293222 0.99 GRIN2B (0.47) GRIN2BKCNH2GAAMEN1KMT2A
SCHEMBL7366835 0.84 NPY2R (0.49) KMT2ACHRM3
SCHEMBL7295719 0.75 KIF11 (0.41) ALDH1A1TBXAS1PDE3BPDE3A
SCHEMBL9561851 0.74 GRIN2B (0.56) GRIN2BKCNH2GAAMEN1KMT2A
SCHEMBL7315170 0.74 CRBN (0.53) GRIN2BKCNH2GAAMEN1KMT2A
SCHEMBL466863 0.73 GRIN2B (0.61) GRIN2BKCNH2MEN1KMT2AOGT
SCHEMBL9562478 0.72 GRIN2B (0.60) GRIN2BKCNH2MEN1KMT2AOGT
Hydrochloric Acid SCHEMBL7370551 0.71 TSHR (0.40) KCNH2ALDH1A1PDE3BPDE3A
SCHEMBL7307710 0.70 LMNA (0.50) KMT2ACHRM3OPRM1
SCHEMBL5467351 0.70 KCNH2 (0.55) GRIN2BKCNH2GAAALDH1A1ATM

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 1 patent. 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
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