SCHEMBL9764544

SCHEMBL9764544

CN1CC=C(c2c[nH]c3ccc(S(N)(=O)=O)cc23)CC1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.68
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
HTR1A P08908 1/20 0.60
ALOX15 P16050 1/20 0.60
HTR6 P50406 1/20 0.60
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
Water SCHEMBL9764555 0.85 SLC6A4 (0.64) SLC6A4
Water SCHEMBL9764559 0.85 SLC6A4 (0.64) SLC6A4
SCHEMBL7479356 0.82 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7483005 0.81 SLC6A4 (0.61) SLC6A4
SCHEMBL4418308 0.81 SLC6A4 (0.61) SLC6A4
SCHEMBL7483003 0.81 SLC6A4 (0.61) SLC6A4
SCHEMBL4541937 0.81 SLC6A4 (0.61) SLC6A4
SCHEMBL7482999 0.81 SLC6A4 (0.61) SLC6A4
SCHEMBL13323539 0.81 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
Ammonia Solution, Strong SCHEMBL1122493 0.81 SLC6A4 (0.74) SLC6A4KDM4ELMNAPOLBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066660-A INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-11-19 US disclosed
EP-0303506-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed