SCHEMBL9503275

SCHEMBL9503275

CCCN(CCOc1c(Cl)cccc1Cl)C1CCCc2cc(O)c(O)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.58
DRD2 P14416 9/20 0.51
DRD3 P35462 9/20 0.51
DRD4 P21917 5/20 0.49
HTR1A P08908 4/20 0.49
MEN1 O00255 2/20 0.49
ADRB2 P07550 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 1/20 0.49
CASP1 P29466 1/20 0.49
HTR7 P34969 3/20 0.48
LMNA P02545 2/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL9504458 0.91 FYN (0.62) FYNDRD2DRD3DRD4HTR1A
SCHEMBL9504552 0.86 DRD2 (0.61) DRD2DRD3DRD4HTR1AADRB2
SCHEMBL9507115 0.82 DRD2 (0.70) DRD2DRD3DRD4HTR1AADRB2
Hydrochloric Acid SCHEMBL9504453 0.81 DRD2 (0.69) DRD2DRD3DRD4HTR1AADRB2
SCHEMBL9507046 0.78 DRD2 (0.55) FYNDRD2DRD3DRD4HTR1A
SCHEMBL9504432 0.77 ADRA2A (0.44) FYN
SCHEMBL9504450 0.77 DRD2 (0.54) DRD2DRD3DRD4HTR1AADRB2
Hydrochloric Acid SCHEMBL9503363 0.76 ADRA2A (0.43) FYN
Hydrochloric Acid SCHEMBL9507124 0.76 DRD2 (0.55) DRD2DRD3DRD4HTR1AADRB2
SCHEMBL10606282 0.75 FYN (1.00) FYNDRD2DRD3DRD4HTR1A

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