SCHEMBL1714647

SCHEMBL1714647

O=S(=O)(c1ccccc1)C1CNCCN1c1cc(F)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.41
HTR2B P41595 3/20 0.41
HTR6 P50406 6/20 0.39
HTR2A P28223 5/20 0.38
KCNH2 Q12809 3/20 0.38
PKM P14618 1/20 0.37
DRD2 P14416 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DRD1 P21728 1/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL1715022 0.84 GFER (0.44) HTR2CHTR2BHTR6HTR2ADRD2
SCHEMBL3796418 0.76 SLC6A2 (0.49) HTR2CHTR2BHTR6HTR2ADRD2
SCHEMBL9185398 0.72 PKM (0.42) HTR2CHTR6HTR2AKCNH2PKM
SCHEMBL11968841 0.71 KDM4E (0.42) HTR2CHTR2AKCNH2DRD2ALDH1A1
SCHEMBL28440794 0.71 SLC6A2 (0.41) HTR2CHTR6
SCHEMBL28393842 0.70 HTR2C (0.41) HTR2CHTR2BHTR6HTR2A
SCHEMBL6744243 0.70 CA1 (0.44) HTR6ALDH1A1USP2
SCHEMBL30407459 0.69 CHRM2 (0.43) HTR2CHTR6HTR2AKCNH2ALDH1A1
SCHEMBL28061774 0.69 HTR6 (0.42) HTR2CHTR6HTR2AKCNH2
SCHEMBL1885230 0.69 NR1H4 (0.38) HTR2CHTR6ALDH1A1USP2

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-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed