SCHEMBL7312432

SCHEMBL7312432

C=c1c(=O)[nH]c2n1Cc1cc(C)cc(OCCCCCC(=O)N(C)c3ccccc3)c1N=2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.45
PDE3A Q14432 9/20 0.45
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 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
SCHEMBL7312798 0.81 PDE3B (0.44) PDE3BPDE3AMEN1KMT2AALDH1A1
SCHEMBL7313037 0.81 PDE3B (0.46) PDE3BPDE3AALDH1A1KDM4ELMNA
SCHEMBL7308217 0.81 PDE3B (0.68) PDE3BPDE3A
SCHEMBL7305746 0.81 PDE3B (0.42) PDE3BPDE3AALDH1A1KDM4ELMNA
SCHEMBL7308793 0.80 PDE3B (0.68) PDE3BPDE3A
SCHEMBL7303290 0.78 PDE3B (0.71) PDE3BPDE3A
SCHEMBL7318108 0.77 PDE3B (0.44) PDE3BPDE3AAVPR2AVPR1A
SCHEMBL7307753 0.77 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7315928 0.76 PDE3B (0.49) PDE3BPDE3A
SCHEMBL7310542 0.75 PDE3B (0.50) PDE3BPDE3AMEN1KMT2AKDM4E

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