SCHEMBL9800377

SCHEMBL9800377

Cn1cc(CCCN)c2cc(CCS(N)(=O)=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
HTR1D P28221 1/20 0.46
HTR2A P28223 1/20 0.43
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
CA2 P00918 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RECQL P46063 1/20 0.37
HASPIN Q8TF76 4/20 0.37
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ENPP1 P22413 1/20 0.36
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SPR P35270 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
SCHEMBL9800340 0.92 HTR1D (0.54) ADRB2HTR1DHTR2ATP53CA2
SCHEMBL10494711 0.89 ADRB2 (0.47) ADRB2HTR1DHTR2ALMNATP53
SCHEMBL9800394 0.86 ADRB2 (0.41) ADRB2HTR1DHTR2ALMNATP53
SCHEMBL9800333 0.84 NQO2 (0.42) ADRB2HTR1DHTR2ATP53CA2
SCHEMBL9800355 0.84 HTR6 (0.55) ADRB2HTR1DHTR2AHTR6
Hydrochloric Acid SCHEMBL9800379 0.83 HTR6 (0.54) ADRB2HTR1DHTR2AHTR6
Hydrochloric Acid SCHEMBL27673725 0.83 ADRB2 (0.39) ADRB2HTR1DHTR2ALMNATP53
SCHEMBL9800359 0.82 MAPT (0.43) HTR2ALMNATP53CA2RXFP1
Hydrochloric Acid SCHEMBL9800409 0.82 NQO2 (0.41) ADRB2HTR1DHTR2ALMNATP53
Hydrochloric Acid SCHEMBL9800411 0.82 HTR6 (0.53) ADRB2HTR1DHTR2AHTR6

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-4994483-A 5-substituted-3-aminoalkyl indole derivatives for migraine GLAXO GROUP LIMITED (GB) 1991-02-19 US disclosed