SCHEMBL9506501

SCHEMBL9506501

CCCC(Oc1c(Cl)cccc1Cl)C(=O)NC1CCc2c(ccc(O)c2OCc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
ACHE P22303 4/20 0.42
TAOK3 Q9H2K8 4/20 0.41
TAOK1 Q7L7X3 3/20 0.41
FABP4 P15090 1/20 0.39
AGTR2 P50052 2/20 0.38
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
UBLCP1 Q8WVY7 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9503561 0.90 CA1 (0.43) CA1CA2ACHETAOK3TAOK1
SCHEMBL9506542 0.86 CA1 (0.41) CA1CA2ACHEDRD2DRD4
SCHEMBL9503346 0.77 CA1 (0.41) CA1CA2ACHETAOK3TAOK1
SCHEMBL9503472 0.75 MTNR1A (0.48) CA1CA2ACHEDRD2DRD4
SCHEMBL9506505 0.72 DRD2 (0.43) FABP4DRD2DRD4DRD3LMNA
SCHEMBL9504450 0.71 DRD2 (0.54) DRD2DRD4DRD3LMNA
Hydrochloric Acid SCHEMBL9507124 0.70 DRD2 (0.55) DRD2DRD4DRD3LMNA
SCHEMBL22694038 0.67 DRD2 (0.62) DRD2DRD4DRD3LMNA
SCHEMBL8019711 0.64 DRD2 (0.55) DRD2DRD4DRD3
SCHEMBL8548581 0.64 CA1 (0.47) CA1CA2ACHETAOK3TAOK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321968-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
US-5151414-A Hypotensive agents SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1992-09-29 US disclosed
US-5070106-A HYPOTENSIVES, CEREBRAL DISORDERS SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-03 US disclosed
EP-0321968-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed