SCHEMBL10844179

SCHEMBL10844179

COc1c(OCCCO)ccc2c1CN1C(=N2)NC(=O)C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.47
PDE3A Q14432 17/20 0.47
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD3 P35462 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TLR4 O00206 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10842833 0.97 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10844134 0.96 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10848201 0.96 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10844355 0.96 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10848894 0.95 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10844161 0.90 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10850289 0.90 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10843183 0.89 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10842468 0.89 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10850050 0.89 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4

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-4593029-A Enzyme inhibitor SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed