SCHEMBL3266572

SCHEMBL3266572

COc1ccc(F)cc1COc1cnc(N2CCNCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR2C P28335 4/20 0.42
HTR1A P08908 3/20 0.42
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
IL2 P60568 1/20 0.42
MAP4K1 Q92918 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HTR6 P50406 2/20 0.41
NMT1 P30419 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL3266361 0.85 HTR2C (0.54) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL5585578 0.77 ADRB2 (0.46) SLC6A2SLC6A4HTR2CCCNT1CDK9
SCHEMBL3268109 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL3266841 0.74 HTR2C (0.60) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL3267292 0.74 HTR2C (0.54) HTR2CHTR1AHTR6HTR2AHTR2B
Acetic Acid SCHEMBL6184606 0.72 HTR2C (0.44) SLC6A2SLC6A4HTR2CHTR6HTR2A
SCHEMBL15728433 0.72 FGFR3 (0.51) IL2MAP4K1KCNH2
SCHEMBL906145 0.72 HTR2C (0.60) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL1714907 0.70 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2873088 0.70 HTR3E (0.68) SLC6A2SLC6A4HTR1AHTR6

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
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP claimed