SCHEMBL9504412

SCHEMBL9504412

CCCC(NC(C)=O)(Oc1c(Cl)cccc1Cl)C1CCCc2cc(O)c(O)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.38
TAS1R1 Q7RTX1 8/20 0.38
TAS1R2 Q8TE23 8/20 0.38
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DRD1 P21728 2/20 0.32
DRD5 P21918 2/20 0.32
POLB P06746 1/20 0.32
ADRB2 P07550 1/20 0.31
TBXA2R P21731 1/20 0.31
DRD2 P14416 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
SCHEMBL9507066 0.76 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL9503495 0.74 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2KDM4ELMNA
SCHEMBL9504633 0.67 PTGER4 (0.37) ALDH1A1KMT2A
SCHEMBL9507191 0.67 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2IGF1RALOX15
SCHEMBL9504418 0.66 HTR6 (0.38) TAS1R3TAS1R1TAS1R2
SCHEMBL9504423 0.65 NPC1 (0.38) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL9504432 0.63 ADRA2A (0.44) IGF1RALOX15KDM4E
Succinic Acid SCHEMBL9505506 0.62 ADRA2A (0.39) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9503363 0.62 ADRA2A (0.43) IGF1RALOX15KDM4E
SCHEMBL9503722 0.60 ADRA2A (0.43) KDM4EDRD2

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