SCHEMBL9802180

SCHEMBL9802180

NC(=O)CN1C(=O)[C@H](N)[C@H](c2ccccc2)Sc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.44
▸ GSK3B P49841 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SCN7A Q01118 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ PLAUR Q03405 1/20 0.39

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
SCHEMBL9802623 1.00 CYP2C19 (0.44) CYP2C19GSK3BSMN1; SMN2TSHRL3MBTL1
SCHEMBL9802177 1.00 CYP2C19 (0.44) CYP2C19GSK3BSMN1; SMN2TSHRL3MBTL1
SCHEMBL9802609 1.00 CYP2C19 (0.44) CYP2C19GSK3BSMN1; SMN2TSHRL3MBTL1
SCHEMBL9802168 1.00 CYP2C19 (0.44) CYP2C19GSK3BSMN1; SMN2TSHRL3MBTL1
SCHEMBL9802421 0.91 CACNA1C (0.41) CYP2C19GSK3BSMN1; SMN2TSHRL3MBTL1
SCHEMBL9802081 0.86 GSK3B (0.40) CYP2C19GSK3BLMNAMAPTMEN1
SCHEMBL9802096 0.86 GSK3B (0.40) CYP2C19GSK3BLMNAMAPTMEN1
SCHEMBL9802072 0.86 GSK3B (0.40) CYP2C19GSK3BLMNAMAPTMEN1
SCHEMBL9802375 0.86 GSK3B (0.40) CYP2C19GSK3BLMNAMAPTMEN1
SCHEMBL9802389 0.86 GSK3B (0.40) CYP2C19GSK3BLMNAMAPTMEN1

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-5055464-A Cognition activators, diuretics, antiulcer agents YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1991-10-08 — — US disclosed
EP-0322779-A2 Benzolactam compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-07-05 — — EP disclosed
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