SCHEMBL9311422

SCHEMBL9311422

COc1ccc(Cc2nccc3cc(OCc4ccccn4)ccc23)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.62
PDE3A Q14432 8/20 0.62
PDE3B Q13370 7/20 0.62
CYP3A4 P08684 4/20 0.62
MAPK1 P28482 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 3/20 0.62
CYP1A2 P05177 3/20 0.62
USP2 O75604 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HIF1A Q16665 2/20 0.62
ALOX15 P16050 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2C9 P11712 2/20 0.62
TSHR P16473 2/20 0.62
PDE4A P27815 2/20 0.62
KCNH2 Q12809 2/20 0.62
PDE4D Q08499 2/20 0.62
PDE2A O00408 1/20 0.62
ABCC4 O15439 1/20 0.62

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
SCHEMBL11037274 0.89 PDE10A (0.65) PDE10APDE3APDE3BCYP3A4MAPK1
SCHEMBL23457927 0.85 PDE10A (0.76) PDE10APDE3APDE3BCYP3A4MAPK1
SCHEMBL4429531 0.80 PDE10A (0.75) PDE10APDE3APDE3BCYP3A4MAPK1
SCHEMBL9312020 0.79 PDE10A (0.74) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL29387160 0.78 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL29360983 0.78 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL9551009 0.78 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL34702 0.78 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
Hydrochloric Acid SCHEMBL9313216 0.77 PDE10A (0.76) PDE10APDE3APDE3BCYP3A4MAPK1
SCHEMBL23457926 0.77 PDE10A (0.53) PDE10APDE3APDE3BCYP3A4MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34630-E Antagonist for platelet activating factor EUROCELTIQUE, S.A. (LU) 1994-06-07 US disclosed
EP-0422328-A2 Substituted isoquinolines and their use Euro-Celtique S.A. (LU) 1991-04-17 EP disclosed
US-4956371-A PLATELET ACTIVATING FACTOR EUROCELTIQUE, S.A. (LU) 1990-09-11 US disclosed