SCHEMBL7316957

SCHEMBL7316957

CN(C)c1ccccc1NC(=O)CN1Cc2c(cccc2OCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)N=C1NC(=O)NC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNQ2 O43526 1/20 0.32
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7318644 0.88 PDE3B (0.35) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7308383 0.87 PDE3B (0.41) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7313145 0.87 PDE4A (0.43) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7316952 0.85 PDE3B (0.34) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7320482 0.85 NPC1 (0.36) PDE3BPDE3ATSHRNPC1MAPK1
SCHEMBL7312876 0.82 PDE3B (0.36) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7317853 0.79 KCNQ2 (0.39) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7309234 0.79 PDE3B (0.35) PDE3BPDE3ATSHRLMNAMAPK1
SCHEMBL7317951 0.78 PDE3B (0.35) PDE3BPDE3ATSHRNPC1LMNA
SCHEMBL7316967 0.78 TSHR (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