SCHEMBL9503495

SCHEMBL9503495

CCCC(NC(C)=O)(Oc1c(OC)cccc1OC)C1CCCc2c1ccc(O)c2O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
TAS1R2 Q8TE23 2/20 0.43
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL9507066 0.90 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2
SCHEMBL9503470 0.84 CA1 (0.40) CA1CA2MTNR1AMTNR1BKDM4E
SCHEMBL9504412 0.74 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2KDM4ELMNA
SCHEMBL9503511 0.67 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2
SCHEMBL9503507 0.66 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL9505387 0.63 ADRA2A (0.60)
Hydrochloric Acid SCHEMBL9507138 0.62 ADRA2A (0.59)
SCHEMBL704770 0.61 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2TDP1CA1
SCHEMBL17236386 0.60 CA1 (0.52) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL8888088 0.59 MTNR1A (0.66) MTNR1AMTNR1B

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