SCHEMBL7330709

SCHEMBL7330709

CCCC(CCOc1ccc(Cc2ccccc2)cc1)CN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.61
HRH3 Q9Y5N1 3/20 0.60
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NLRP1 Q9C000 1/20 0.46

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
SCHEMBL7329500 0.83 HRH3 (0.53) LTA4HHRH3PSMB1PSMB5TSHR
SCHEMBL8814961 0.80 TSHR (0.52) LTA4HHRH3TSHRRAB9AHSD17B10
SCHEMBL7327720 0.77 KDM4E (0.53) HRH3TSHRSMN1; SMN2
SCHEMBL7141103 0.76 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7133844 0.76 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL9527901 0.76 HRH3 (0.74) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7325617 0.76 MAOB (0.53) HRH3LMNAMAPT
SCHEMBL8637452 0.75 HRH3 (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7140970 0.75 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL9528660 0.75 LTA4H (0.62) LTA4HHRH3PSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP claimed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO claimed