SCHEMBL7308929

SCHEMBL7308929

C=c1c(=O)[nH]c2n1Cc1c(ccc(F)c1OCCCC(=O)N(CCO)CCCCCC)N=2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
TSPO P30536 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL7308920 0.87 PDE3B (0.43) PDE3BPDE3A
SCHEMBL7316554 0.80 PDE3B (0.46) PDE3BPDE3A
SCHEMBL7313595 0.79 PDE3B (0.68) PDE3BPDE3A
SCHEMBL7314185 0.79 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7318804 0.76 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7311818 0.72 PDE3B (0.45) PDE3BPDE3AKDM4EMEN1ALDH1A1
SCHEMBL7309784 0.72 PDE3B (0.54) PDE3BPDE3A
SCHEMBL7317096 0.72 PDE3B (0.61) PDE3BPDE3ATSHRHSD17B10
SCHEMBL7319304 0.71 PDE3B (0.49) PDE3BPDE3A
SCHEMBL7319732 0.71 PDE3B (0.42) PDE3BPDE3AKDM4EALDH1A1HPGD

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