SCHEMBL7307748

SCHEMBL7307748

C=c1c(=O)[nH]c2n1Cc1cc(C)c(OCCCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)cc1N=2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.48
PDE3A Q14432 7/20 0.48
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAF1 P04049 2/20 0.33
MAP2K1 Q02750 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
ATM Q13315 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7312169 0.88 PDE3B (0.47) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7315783 0.83 PDE3B (0.66) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7312258 0.82 PDE3B (0.42) PDE3BPDE3ALMNANPC1ALOX15
Acetic Acid SCHEMBL7314774 0.82 PDE3B (0.66) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7319436 0.80 PDE3B (0.56) PDE3BPDE3AKDM4E
SCHEMBL7319732 0.78 PDE3B (0.42) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7316751 0.78 PDE3B (0.45) PDE3BPDE3ANPC1MAPK1HSD17B10
SCHEMBL7317096 0.78 PDE3B (0.61) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7317020 0.78 PDE3B (0.51) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7310542 0.76 PDE3B (0.50) PDE3BPDE3ALMNANPC1ALOX15

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