SCHEMBL7316100

SCHEMBL7316100

CC(CCOc1ccc2[nH]c(=O)ccc2c1)Cc1nnnn1C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.51
PDE3A Q14432 7/20 0.51
P2RY12 Q9H244 1/20 0.51
ALDH1A1 P00352 14/20 0.48
KDM4E B2RXH2 11/20 0.48
HSD17B10 Q99714 11/20 0.48
HPGD P15428 7/20 0.48
GAA P10253 4/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 4/20 0.48
TSHR P16473 9/20 0.47
ALOX15 P16050 5/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
PDE5A O76074 1/20 0.47

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
SCHEMBL7319001 0.91 PDE3B (0.49) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7306694 0.86 PDE3B (0.61) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7309420 0.86 ALDH1A1 (0.55) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7313626 0.86 PDE3B (0.65) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7306060 0.86 PDE3B (0.65) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL5811108 0.85 PDE3B (0.69) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7318197 0.85 PDE3B (0.64) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7316463 0.84 PDE3B (0.54) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7309099 0.84 PDE3B (0.68) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7317196 0.83 PDE3B (0.61) 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