SCHEMBL10657645

SCHEMBL10657645

CCOC(=O)CCCOc1ccc([N+](=O)[O-])c(/C=C2\C(=O)NC(=O)N2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TNF P01375 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10657656 1.00 PDE3B (0.42) PDE3BPDE3AP2RY12BRD4KMT2A
SCHEMBL10657105 0.97 FFAR1 (0.43) PDE3BPDE3AP2RY12BRD4KMT2A
SCHEMBL10657100 0.97 FFAR1 (0.43) PDE3BPDE3AP2RY12BRD4KMT2A
SCHEMBL10655606 0.83 MAPT (0.49) PDE3BPDE3AP2RY12BRD4KMT2A
SCHEMBL10655609 0.83 MAPT (0.49) PDE3BPDE3AP2RY12BRD4KMT2A
SCHEMBL10659586 0.81 PDE3B (0.51) PDE3BPDE3AP2RY12KMT2AHPGD
SCHEMBL10659590 0.81 PDE3B (0.51) PDE3BPDE3AP2RY12KMT2AHPGD
SCHEMBL10659845 0.81 MAPT (0.48) PDE3BPDE3AP2RY12BRD4KMT2A
SCHEMBL10659850 0.81 MAPT (0.48) PDE3BPDE3AP2RY12BRD4KMT2A
SCHEMBL7315331 0.80 ALDH1A1 (0.48) PDE3BPDE3AP2RY12BRD4KMT2A

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-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 — — US disclosed
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