SCHEMBL7314546

SCHEMBL7314546

C=c1c(=O)[nH]c2n1Cc1c(C)cc(OCCCCCC(C(N)=O)N3CCCc4ccccc43)cc1N=2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPT P10636 7/20 0.32
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 5/20 0.32
NPSR1 Q6W5P4 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7317200 0.82 PDE3B (0.50) PDE3BPDE3AMAPTTSHRSMN1; SMN2
SCHEMBL7315285 0.82 PDE3B (0.41) PDE3BPDE3ABCL2L1MCL1MAPT
SCHEMBL7316075 0.78 PDE3B (0.49) PDE3BPDE3AMAPTTSHRSMN1; SMN2
SCHEMBL7316989 0.74 MAPT (0.32) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7314537 0.72 PDE3B (0.43) PDE3BPDE3ASMN1; SMN2
SCHEMBL7313632 0.72 ATM (0.39) BCL2L1MCL1MAPTTSHRALDH1A1
SCHEMBL7317428 0.71 ATM (0.38) BCL2L1MCL1MAPTTSHRALDH1A1
SCHEMBL7319259 0.71 ATM (0.38) BCL2L1MCL1MAPTTSHRALDH1A1
SCHEMBL7316821 0.67 PDE3B (0.57) PDE3BPDE3A
SCHEMBL7318831 0.67 PDE3B (0.56) 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