SCHEMBL7046642

SCHEMBL7046642

CCN(C(C)=O)c1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.43
RORC P51449 2/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
IGF1R P08069 1/20 0.37
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
DRD2 P14416 1/20 0.36
HTR2B P41595 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
FGFR4 P22455 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6747343 0.96 HTR6 (0.41) HTR6RORCKMT2APOLBSMN1; SMN2
SCHEMBL6747280 0.93 HTR6 (0.42) HTR6RORCKMT2APOLBSMN1; SMN2
SCHEMBL6744363 0.92 HTR6 (0.48) HTR6RORCKMT2APOLBSMN1; SMN2
SCHEMBL6743474 0.91 HTR6 (0.51) HTR6RORCKMT2APOLBHTR2C
SCHEMBL6745771 0.89 HTR6 (0.40) HTR6RORCKMT2APOLBSMN1; SMN2
SCHEMBL6745354 0.89 HTR6 (0.53) HTR6RORC
SCHEMBL6743088 0.88 HTR6 (0.45) HTR6RORCKMT2ASMN1; SMN2NPC1
SCHEMBL6741151 0.88 HTR6 (0.48) HTR6RORCKMT2APOLBHTR2C
SCHEMBL6744023 0.88 HTR6 (0.53) HTR6HTR2CHTR7DRD2HTR2B
SCHEMBL6747433 0.86 HTR6 (0.43) HTR6RORCKMT2APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579870-B2 5-(1,4-diazepan-1-yl)-2-((3 -fluorophenyl)sulfonyl)phenylamine for example; treatment of diseases or disorders of the central nervous system; modulation of serotonin (5-HT) activity PHARMACIA & UPJOHN COMPANY 2003-06-17 US claimed
EP-1294701-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2003-03-26 EP claimed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO claimed
EP-1294701-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2003-03-26 EP disclosed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO disclosed