SCHEMBL9519005

SCHEMBL9519005

NC(C=Cc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
RXRA P19793 1/20 0.44
CHAT P28329 4/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SMPD2 O60906 2/20 0.40
CAPN1 P07384 1/20 0.40
CTSB P07858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL8901793 0.75 NFE2L2 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10706687 0.74 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706694 0.74 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706700 0.74 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10437275 0.72 CHAT (0.60) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10437274 0.72 CHAT (0.60) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL8137509 0.72 GRIK1 (0.45) GRIK1GRIK2RXRACHATMTNR1A
SCHEMBL8137514 0.72 GRIK1 (0.45) GRIK1GRIK2RXRACHATMTNR1A
SCHEMBL8137520 0.72 GRIK1 (0.45) GRIK1GRIK2RXRACHATMTNR1A
SCHEMBL1248271 0.71 MTNR1A (0.50) RXRACHATHDAC8HDAC6MTNR1A

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-0318234-B1 IMPROVEMENTS IN OR RELATING TO SELECTIVE SEROTONIN UPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4876282-A ANTIDEPRESSANT, DIETETICS, ANTIALCOHOLISM AGENT ELI LILLY AND COMPANY (US) 1989-10-24 US disclosed
US-4876282-A ANTIDEPRESSANT, DIETETICS, ANTIALCOHOLISM AGENT ELI LILLY AND COMPANY (US) 1989-10-24 US disclosed
EP-0318234-A2 Improvements in or relating to selective serotonin uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed