SCHEMBL6552271

SCHEMBL6552271

CCOC(=O)/C=C\c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.64
DPP4 P27487 1/20 0.64
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CNR2 P34972 1/20 0.60
MAOB P27338 1/20 0.58
CYP3A4 P08684 1/20 0.57
ALOX5 P09917 1/20 0.56
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56

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
SCHEMBL2906674 1.00 TTR (0.64) TTRDPP4CA12CA1CA2
SCHEMBL31408755 1.00 TTR (0.64) TTRDPP4CA12CA1CA2
SCHEMBL4866988 1.00 TTR (0.64) TTRDPP4CA12CA1CA2
SCHEMBL11217091 0.94 TTR (0.71) TTRDPP4CA12CA1CA2
SCHEMBL11217092 0.94 TTR (0.71) TTRDPP4CA12CA1CA2
SCHEMBL11817862 0.89 TTR (0.58) TTRDPP4CA12CA1CA2
SCHEMBL11817850 0.89 TTR (0.58) TTRDPP4CA12CA1CA2
SCHEMBL28989637 0.88 APP (0.66) TTRDPP4CNR2CYP3A4ALOX5
SCHEMBL15927553 0.88 TTR (0.64) TTRDPP4CA12CA1CA2
SCHEMBL11815268 0.87 TTR (0.62) TTRDPP4CA12CA1CA2

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-1171416-B1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS LILLY CO ELI (GB) 2004-02-18 EP disclosed
US-6384281-B1 USED IN TREATING NERVOUS SYSTEM DISORDERS E.G DEPRESSION, ALCOHOLISM, PAIN, HYPERTENSION, ALZHEIMER'S, MEMORY LOSS, ATTENTION-DEFICIT/OBSESSIVE COMPULSIVE/GASTRIC/CARDIOVASCULAR DISORDERS, PARKINSON'S, ANXIETY, CHRONIC FATIGUE SYNDROME, ELI LILLY AND COMPANY 2002-05-07 US disclosed
EP-1171416-A1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 2002-01-16 EP disclosed
WO-2000061539-A1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 2000-10-19 WO disclosed