SCHEMBL7313400

SCHEMBL7313400

CC(COc1ccc2c(ccc(=O)n2C)c1)Cc1nnnn1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.43
PDE3A Q14432 5/20 0.43
P2RY12 Q9H244 1/20 0.43
ALDH1A1 P00352 12/20 0.42
KDM4E B2RXH2 8/20 0.42
HSD17B10 Q99714 8/20 0.42
HPGD P15428 6/20 0.42
GAA P10253 4/20 0.42
PKM P14618 1/20 0.42
CYP2D6 P10635 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 5/20 0.41
NPSR1 Q6W5P4 5/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABCC4 O15439 1/20 0.41
CACNA1F O60840 1/20 0.41
ABCB11 O95342 1/20 0.41

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
SCHEMBL7306672 0.84 PDE3B (0.57) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7319001 0.82 PDE3B (0.49) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7306908 0.76 PDE3B (0.71) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7306759 0.74 PDE3B (0.53) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7316100 0.74 PDE3B (0.51) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7315797 0.73 PDE3B (0.54) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7306732 0.72 PDE3B (0.46) PDE3BPDE3AP2RY12ALDH1A1CYP2D6
SCHEMBL7317542 0.71 ALDH1A1 (0.54) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7312582 0.70 ALDH1A1 (0.41) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7307899 0.70 PDE3B (0.53) PDE3BPDE3AP2RY12ALDH1A1KDM4E

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-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed