SCHEMBL11760424

SCHEMBL11760424

O=C(S)N1CC[C@@H]1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.46
▸ MC4R P32245 2/20 0.46
▸ MC3R P41968 2/20 0.46
▸ MC1R Q01726 2/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ SCD5 Q86SK9 1/20 0.45
▸ GABRA1 P14867 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ ABHD6 Q9BV23 4/20 0.43
▸ DAGLA Q9Y4D2 4/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ TACR3 P29371 1/20 0.43

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
SCHEMBL18862951 0.86 HSD11B1 (0.48) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL18862950 0.86 HSD11B1 (0.48) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL5800629 0.83 TACR1 (0.46) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL27946634 0.82 ABCB1 (0.62) ABCB1TACR1
SCHEMBL16197157 0.80 PSEN1 (0.56) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL23459127 0.77 SCD5 (0.57) HSD11B1MC4RMC3RMC1RSCD5
SCHEMBL908981 0.77 SCD5 (0.57) HSD11B1MC4RMC3RMC1RSCD5
SCHEMBL28334140 0.76 NR1H2 (0.56) ABCB1DAGLA
SCHEMBL28334137 0.76 NR1H2 (0.56) ABCB1DAGLA
SCHEMBL4629395 0.75 HSD11B1 (0.61) HSD11B1SCD5GABRA1GABRG2GABRB3

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
US-4057414-A O-(METHYLAMINOSULFONYL)-GLYCOLIC ACID HEXAMETHYLENE OR HEPTAMETHYLENE AMIDE, PROPIONIC ACID 3,4-DICHLOROANILIDE BASF AKTIENGESELLSCHAFT (DT) 1977-11-08 — — US disclosed
US-4030909-A BENZOTHIADIAZINONE DIOXIDE AND A GLYCOLIC ACID AMIDE BASF AKTIENGESELLSCHAFT (DT) 1977-06-21 — — US disclosed
US-4001217-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-01-04 — — US disclosed
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