SCHEMBL9503561

SCHEMBL9503561

CCCC(Oc1c(Cl)cccc1Cl)C(=O)NC1CCc2c(ccc(OCc3ccccc3)c2O)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
ACHE P22303 4/20 0.43
TAOK3 Q9H2K8 4/20 0.40
TAOK1 Q7L7X3 3/20 0.40
FABP4 P15090 1/20 0.37
AGTR2 P50052 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
DRD2 P14416 1/20 0.34
UBLCP1 Q8WVY7 1/20 0.34
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9506501 0.90 CA1 (0.42) CA1CA2ACHETAOK3TAOK1
SCHEMBL9506542 0.86 CA1 (0.41) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL9503472 0.76 MTNR1A (0.48) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL9503346 0.76 CA1 (0.41) CA1CA2ACHETAOK3TAOK1
SCHEMBL7516461 0.74 DRD2 (0.56) CA1CA2ACHEDRD2
SCHEMBL7516458 0.74 DRD2 (0.56) CA1CA2ACHEDRD2
Hydrochloric Acid SCHEMBL7520028 0.73 DRD2 (0.55) CA1CA2ACHEDRD2
Hydrochloric Acid SCHEMBL7520024 0.73 DRD2 (0.55) CA1CA2ACHEDRD2
SCHEMBL9503568 0.73 DRD2 (0.41) FABP4AGTR2DRD2
SCHEMBL7521684 0.67 DRD2 (0.62) DRD2

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