SCHEMBL7320610

SCHEMBL7320610

NC(=O)CCCC(Oc1ccc(Cl)c2c1N=C1NC(=O)C(CO)N1C2)N1CCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.34
PDE3A Q14432 5/20 0.34
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
BLM P54132 1/20 0.32
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7320601 0.85 PDE3B (0.35) PDE3BPDE3ALMNATSHRCYP1A2
SCHEMBL7319841 0.80 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7317001 0.79 MAPT (0.31) MAPTALDH1A1POLB
SCHEMBL7320606 0.77 PDE3B (0.37) PDE3BPDE3ALMNATSHRCYP1A2
SCHEMBL7318734 0.73 PDE3B (0.39) PDE3BPDE3A
SCHEMBL7306843 0.70 PDE3B (0.37) PDE3BPDE3A
SCHEMBL7319827 0.70 PDE3B (0.51) PDE3BPDE3A
SCHEMBL7312650 0.69 CA12 (0.35) CYP3A4MAPTALDH1A1POLB
SCHEMBL7316959 0.67 ALDH1A1 (0.35) CYP3A4MAPTALDH1A1POLB
SCHEMBL7312257 0.67 ALDH1A1 (0.37) LMNACYP3A4MAPTALDH1A1POLB

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed