SCHEMBL7314537

SCHEMBL7314537

C=c1c(=O)[nH]c2n1Cc1c(C)cc(OCCCCCCC(=O)NC3CCc4ccccc4N3)cc1N=2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
CNR2 P34972 9/20 0.32
CNR1 P21554 9/20 0.32
BRD4 O60885 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC3 O15379 1/20 0.30
BRD2 P25440 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RIPK1 Q13546 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
SCHEMBL7317183 0.84 PDE3B (0.59) PDE3BPDE3A
SCHEMBL7315274 0.82 PDE3B (0.45) PDE3BPDE3ACNR2CNR1
SCHEMBL7314546 0.72 PDE3B (0.39) PDE3BPDE3ASMN1; SMN2
SCHEMBL7313625 0.71 SMN1; SMN2 (0.37) CNR2CNR1SMN1; SMN2
SCHEMBL7317420 0.71 CNR1 (0.36) CNR2CNR1SMN1; SMN2
SCHEMBL7316821 0.71 PDE3B (0.57) PDE3BPDE3A
SCHEMBL7316827 0.71 PDE3B (0.57) PDE3BPDE3A
SCHEMBL7319250 0.70 SIRT3 (0.38) CNR2CNR1
SCHEMBL7308462 0.69 PDE3B (0.36) PDE3BPDE3ACNR2CNR1HDAC1
SCHEMBL10374576 0.68 PDE3B (0.69) PDE3BPDE3A

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