SCHEMBL11095157

SCHEMBL11095157

O=C(O)[C@@H]1CCC2CCC1N2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 2/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
KCNH2 Q12809 3/20 0.46
OPRK1 P41145 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A1 P30531 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
LTA4H P09960 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL11097065 1.00 SLC6A4 (0.48) SLC6A4SLC6A3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL11093298 0.98 CHRM2 (0.49) SLC6A4SLC6A3CHRM2CHRM4CHRM5
SCHEMBL11099778 0.84 SLC6A4 (0.60) SLC6A4SLC6A3
SCHEMBL11543221 0.83 SLC6A4 (0.48) SLC6A4SLC6A3KCNH2OPRK1L3MBTL1
SCHEMBL11543215 0.83 SLC6A4 (0.48) SLC6A4SLC6A3KCNH2OPRK1L3MBTL1
SCHEMBL11545188 0.83 SLC6A4 (0.48) SLC6A4SLC6A3KCNH2OPRK1L3MBTL1
SCHEMBL15240176 0.81 AGTR2 (0.43) SLC6A4SLC6A1
SCHEMBL5961903 0.81 AGTR2 (0.43) SLC6A4SLC6A1
SCHEMBL11095687 0.79 KCNH2 (0.44) SLC6A4SLC6A3CHRM2CHRM4CHRM5
SCHEMBL11095682 0.79 KCNH2 (0.44) SLC6A4SLC6A3CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031219-B1 ANILINE DERIVATIVES BEECHAM GROUP PLC (GB) 1984-03-07 EP disclosed
US-4350691-A ANTIEMETICS BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed
EP-0031219-A1 Aniline derivatives BEECHAM GROUP PLC (GB) 1981-07-01 EP disclosed