SCHEMBL9463173

SCHEMBL9463173

O=[N+]([O-])c1ccc2c(c1)c(C1=CCNCC1)cn2-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.61
HTR2A P28223 1/20 0.47
KHK P50053 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTR1A P08908 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL9462735 0.86 HTR6 (0.68) HTR6HTR2AKHKKCNH2HTR1A
SCHEMBL10725470 0.82 HTR6 (0.42) HTR6KCNH2
Hydrochloric Acid SCHEMBL27751697 0.82 HTR6 (0.61) HTR6HTR2AKCNH2HTR1A
SCHEMBL6580736 0.82 HTR6 (0.61) HTR6HTR2AKCNH2HTR1A
SCHEMBL9462566 0.81 HTR6 (0.56) HTR6KCNH2HTR1ADRD3
SCHEMBL9462659 0.81 SLC6A4 (0.55) HTR6KCNH2
SCHEMBL17495361 0.81 HTR6 (0.65) HTR6HTR2AKHKHTR1A
SCHEMBL10874677 0.79 HTR6 (0.57) HTR6HTR2AHTR1ADRD3
SCHEMBL9150425 0.78 HTR6 (0.55) HTR6HTR2AKHKKCNH2HTR1A
SCHEMBL9150811 0.78 HTR6 (0.60) HTR6HTR1ADRD3

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
US-RE34299-E Psychological disorders, neuroleptic agents, analgesics H. LUNDBECK A/S (DK) 1993-06-29 US disclosed
EP-0200322-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1990-02-28 EP disclosed
US-4710500-A 1-(4'-fluorophenyl)-3,5-substituted indoles useful in the treatment of psychic disorders and pharmaceutical compositions thereof H. LUNDBECK A/S (DK) 1987-12-01 US disclosed
EP-0200322-A1 Heterocyclic compounds H. LUNDBECK A/S (DK) 1986-11-05 EP disclosed