SCHEMBL7317849

SCHEMBL7317849

CNN(C(=O)CN1Cc2cccc(OCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)c2N=C1NC(=O)Cc1ccccc1)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TEAD1 P28347 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSPO P30536 1/20 0.30
PDE4A P27815 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
SCHEMBL7306654 0.91 PDE3B (0.34) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7316963 0.90 NPC1 (0.36) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7316772 0.90 PDE3B (0.34) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7320121 0.88 PDE3B (0.37) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7317853 0.84 KCNQ2 (0.39) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7310529 0.84 PDE3B (0.35) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7316952 0.79 PDE3B (0.34) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7318642 0.78 MAPT (0.34) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7308378 0.78 PDE3B (0.39) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7313141 0.78 PDE3B (0.37) PDE3BPDE3ATSHRNPC1LMNA

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-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed