SCHEMBL7316967

SCHEMBL7316967

CN(C)c1ccccc1NC(=O)CN1Cc2cccc(OCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)c2N=C1NC(=O)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
KCNQ2 O43526 1/20 0.32
ACHE P22303 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BCHE P06276 2/20 0.32
RECQL P46063 1/20 0.31
MAPT P10636 3/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7317853 0.91 KCNQ2 (0.39) TSHRMAPK1NPC1LMNAALOX15
SCHEMBL7318132 0.90 NPC1 (0.38) TSHRMAPK1NPC1LMNAALOX15
SCHEMBL7320125 0.87 PDE4A (0.43) TSHRMAPK1NPC1LMNAALOX15
SCHEMBL7317651 0.86 PDE3B (0.38) TSHRNPC1LMNAPDE3BPDE3A
SCHEMBL7316963 0.84 NPC1 (0.36) TSHRMAPK1NPC1LMNAALOX15
SCHEMBL7310529 0.82 PDE3B (0.35) TSHRMAPK1NPC1LMNAALOX15
SCHEMBL7316080 0.82 PDE3B (0.36) TSHRMAPK1NPC1LMNAALOX15
SCHEMBL7316529 0.81 PDE3B (0.35) TSHRMAPK1NPC1LMNAALOX15
SCHEMBL7308383 0.79 PDE3B (0.41) TSHRMAPK1NPC1LMNAALOX15
SCHEMBL7303658 0.79 PDE3B (0.39) TSHRMAPK1NPC1LMNAALOX15

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