SCHEMBL7315783

SCHEMBL7315783

C=c1c(=O)[nH]c2n1Cc1cc(OCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)ccc1N=2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.66
PDE3A Q14432 19/20 0.66
P2RY12 Q9H244 2/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
Acetic Acid SCHEMBL7314774 0.97 PDE3B (0.66) PDE3BPDE3AP2RY12NPC1LMNA
SCHEMBL7317096 0.92 PDE3B (0.61) PDE3BPDE3AP2RY12NPC1LMNA
SCHEMBL7303290 0.86 PDE3B (0.71) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7312151 0.84 PDE3B (0.68) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7308217 0.84 PDE3B (0.68) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7312169 0.83 PDE3B (0.47) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7307748 0.83 PDE3B (0.48) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7313147 0.82 PDE3B (0.86) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7319436 0.82 PDE3B (0.56) PDE3BPDE3A
SCHEMBL7306899 0.80 PDE3B (0.98) PDE3BPDE3AP2RY12PDE4APDE4B

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