SCHEMBL30206799

SCHEMBL30206799

Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2c(F)cccc2CO)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 1.00
MTNR1A P48039 1/20 1.00
MTNR1B P49286 1/20 1.00
GPR68 Q15743 6/20 0.56
ADORA2A P29274 2/20 0.56
TPH1 P17752 5/20 0.53
HTR1A P08908 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
LTA4H P09960 1/20 0.40
ACKR3 P25106 2/20 0.40
APP P05067 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
Ogerin SCHEMBL29407423 0.73 GPR68 (1.00) HTR2BMTNR1AMTNR1BGPR68ADORA2A
SCHEMBL3301514 0.64 NPSR1 (0.74) HTR2BGPR68ADORA2ATPH1HTR1A
SCHEMBL6727019 0.64 NPSR1 (0.74) HTR2BGPR68ADORA2AHTR1ANPSR1
Hydrochloric Acid SCHEMBL9247173 0.63 NPSR1 (0.72) HTR2BGPR68ADORA2AHTR1ANPSR1
SCHEMBL18177442 0.63 SMN1; SMN2 (0.53) HTR2BMTNR1AMTNR1BTPH1
SCHEMBL510065 0.62 LTA4H (1.00) LTA4H
SCHEMBL1744936 0.62 LTA4H (1.00) LTA4H
SCHEMBL29223873 0.62 CA1 (0.60) GPR68NPSR1APP
SCHEMBL31262715 0.61 HTR2B (0.43) HTR2BMTNR1AMTNR1BADORA2A
SCHEMBL30748835 0.61 MAPT (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023285878-A1 METHODS FOR DETECTING, TREATING, AND PREVENTING GPR68-MEDIATED OCULAR DISEASES, DISORDERS, AND CONDITIONS AVIATION-OPHTHALMOLOGY (SE) 2023-01-19 WO claimed