SCHEMBL8311345

SCHEMBL8311345

O=CCN1c2ccccc2CNS1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.43
OPRM1 P35372 8/20 0.43
PER2 O15055 2/20 0.34
CRY1 Q16526 2/20 0.34
CRY2 Q49AN0 2/20 0.34
GRIA2 P42262 1/20 0.32
DRD4 P21917 1/20 0.31

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
SCHEMBL8316610 0.86 OPRL1 (0.42) OPRL1OPRM1GRIA2
SCHEMBL904845 0.81 OPRL1 (0.46) OPRL1OPRM1GRIA2
SCHEMBL904818 0.71 OPRL1 (0.48) OPRL1OPRM1GRIA2DRD4
SCHEMBL29602416 0.70 ALDH1A1 (0.32)
SCHEMBL8314617 0.67 LMNA (0.37)
SCHEMBL3285134 0.67 SLC6A2 (0.45) OPRL1OPRM1
SCHEMBL6866920 0.64 OPRL1 (0.67) OPRL1OPRM1GRIA2
SCHEMBL8315746 0.63 OPRL1 (0.32) OPRL1OPRM1
Hydrochloric Acid SCHEMBL11099579 0.63 OPRL1 (0.66) OPRL1OPRM1GRIA2
SCHEMBL13158681 0.61 PER2 (0.47) OPRM1PER2CRY1CRY2DRD4

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-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed