SCHEMBL1776192

SCHEMBL1776192

O=S(=O)(Nc1cc(F)cc(C(F)(F)F)c1)c1cc2c(N3CCNCC3)nccc2s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
ADRB1 P08588 1/20 0.38
HTR6 P50406 12/20 0.37
HTR1D P28221 4/20 0.37
HTR1B P28222 4/20 0.37
HTR1A P08908 4/20 0.37
HTR7 P34969 2/20 0.37
HTR2B P41595 1/20 0.37
ADRB2 P07550 1/20 0.37
NCF1 P14598 1/20 0.37
EPHX2 P34913 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DRD2 P14416 1/20 0.35
GUSB P08236 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
Hydrochloric Acid SCHEMBL1774117 0.99 HTR2C (0.39) HTR2CADRB1HTR6HTR1DHTR1B
SCHEMBL1777693 0.88 IDH2 (0.44) HTR2CADRB1HTR6HTR1DHTR1B
Hydrochloric Acid SCHEMBL1776483 0.88 IDH2 (0.43) HTR2CADRB1HTR6HTR1DHTR1B
SCHEMBL1774019 0.83 TGFBR1 (0.40)
SCHEMBL1777202 0.82 HTR6 (0.48) HTR2CHTR6HTR1DHTR1BHTR1A
SCHEMBL1776158 0.81 HTR6 (0.54) HTR2CHTR6HTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL1775919 0.81 HTR6 (0.47) HTR2CHTR6HTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL1776342 0.81 HTR6 (0.53) HTR2CHTR6HTR1DHTR1BHTR1A
SCHEMBL1774831 0.80 HTR6 (0.50) HTR2CADRB1HTR6HTR1DHTR1B
SCHEMBL1775888 0.80 HTR6 (0.46) HTR2CHTR6HTR1DHTR1BHTR1A

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
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US claimed