SCHEMBL7439685

SCHEMBL7439685

O=C(c1ccc(F)cc1)c1ccccc1-c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.63
GCGR P47871 2/20 0.63
PSMB1 P20618 2/20 0.60
PSMB5 P28074 2/20 0.60
PSMB2 P49721 1/20 0.60
KCNH2 Q12809 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
DRD2 P14416 1/20 0.58
DRD1 P21728 1/20 0.58
DRD3 P35462 1/20 0.58
ESR1 P03372 4/20 0.55
ESR2 Q92731 4/20 0.55
KDM4E B2RXH2 4/20 0.54
HRH4 Q9H3N8 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7445638 0.94 LTA4H (0.70) LTA4HGCGRPSMB1PSMB5PSMB2
SCHEMBL7443174 0.93 PSMB1 (0.70) LTA4HGCGRPSMB1PSMB5PSMB2
SCHEMBL7352552 0.90 LTA4H (0.65) LTA4HGCGRPSMB1PSMB5PSMB2
SCHEMBL8711348 0.79 LTA4H (0.76) LTA4HGCGRPSMB1PSMB5PSMB2
SCHEMBL7738182 0.79 ESR1 (0.64) LTA4HPSMB1PSMB5PSMB2KCNH2
SCHEMBL7748549 0.79 ESR1 (0.66) LTA4HGCGRPSMB1PSMB5PSMB2
SCHEMBL8588964 0.79 LTA4H (0.64) LTA4HGCGRPSMB1PSMB5PSMB2
SCHEMBL28380360 0.78 LTA4H (1.00) LTA4HGCGRPSMB1PSMB5PSMB2
SCHEMBL3092657 0.78 ESR1 (0.65) PSMB1PSMB5PSMB2KCNH2DRD2
SCHEMBL6597214 0.78 PSMB1 (0.97) LTA4HGCGRPSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed