SCHEMBL7306908

SCHEMBL7306908

CC(COc1ccc2c(c1)CCC(=O)N2)Cc1nnnn1C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.71
PDE3A Q14432 5/20 0.71
ALDH1A1 P00352 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
LMNA P02545 2/20 0.71
CYP1A2 P05177 2/20 0.71
ABCC4 O15439 1/20 0.71
CACNA1F O60840 1/20 0.71
ABCB11 O95342 1/20 0.71
CYP3A4 P08684 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
THPO P40225 1/20 0.71
OPRK1 P41145 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
CACNA1D Q01668 1/20 0.71

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
SCHEMBL8973905 0.87 ALDH1A1 (0.68) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL7307973 0.84 PDE3B (0.94) PDE3BPDE3AALDH1A1MEN1KMT2A
Cilostazol SCHEMBL1818013 0.83 PDE3B (1.00) PDE3BPDE3AALDH1A1MEN1KMT2A
Cilostazol SCHEMBL16128 0.83 PDE3B (1.00) PDE3BPDE3AALDH1A1MEN1KMT2A
Cilostazol SCHEMBL29389547 0.83 PDE3B (1.00) PDE3BPDE3AALDH1A1MEN1KMT2A
Cilostazol SCHEMBL5798390 0.80 PDE3B (0.93) PDE3BPDE3AALDH1A1MEN1KMT2A
Cilostazol SCHEMBL5798394 0.79 PDE3B (0.92) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL7311963 0.79 MAOA (0.53) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL7319001 0.78 PDE3B (0.49) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL7318751 0.76 PDE3B (0.81) PDE3BPDE3AALDH1A1MEN1KMT2A

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