SCHEMBL7349864

SCHEMBL7349864

NCCc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.64
MRGPRX4 Q96LA9 1/20 0.55
LTA4H P09960 1/20 0.54
PLA2G2A P14555 1/20 0.54
NAAA Q02083 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
GSTP1 P09211 1/20 0.52
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
NR4A2 P43354 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
Hydrochloric Acid SCHEMBL2568656 0.99 MAOB (0.65) MAOBMRGPRX4LTA4HPLA2G2ANAAA
SCHEMBL2570119 0.89 MAOB (0.65) MAOBMRGPRX4NAAATAAR1GSTP1
SCHEMBL30426715 0.86 MAOB (0.68) MAOBMRGPRX4NAAAGSTP1CYP4F2
SCHEMBL3786472 0.86 MAOB (0.68) MAOBMRGPRX4NAAAGSTP1CYP4F2
SCHEMBL20249529 0.86 FFAR1 (0.65) MAOBLTA4HPLA2G2AGSTP1FFAR1
SCHEMBL2137838 0.86 MRGPRX4 (0.69) MAOBMRGPRX4NAAAGSTP1CYP4F2
SCHEMBL7445953 0.85 CYP4F2 (0.72) MAOBMRGPRX4LTA4HNAAAGSTP1
SCHEMBL69020 0.84 CYP4F2 (0.70) MAOBTAAR1CYP4F2CYP4A11
SCHEMBL16346074 0.84 GSTP1 (0.66) MAOBMRGPRX4NAAAGSTP1FFAR1
SCHEMBL379281 0.84 MAOB (0.67) MAOBMRGPRX4GSTP1FFAR4CYP4F2

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-0973517-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-0973517-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998048794-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed