SCHEMBL9819217

SCHEMBL9819217

CN1C(=O)CCN(c2ccccc2Cl)C1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
HSD11B1 P28845 1/20 0.45
ADRA1A P35348 5/20 0.43
ADRA1B P35368 5/20 0.43
ADRA1D P25100 4/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1A P08908 1/20 0.41
BCL2A1 Q16548 1/20 0.40
MGLL Q99685 1/20 0.40
MAPT P10636 1/20 0.39
ADRB1 P08588 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
SCHEMBL9819213 0.81 KMT2A (0.43) HTR1ABCL2A1MAPT
SCHEMBL24608458 0.77 KDM4E (0.36)
SCHEMBL29751165 0.77 KDM4E (0.36)
SCHEMBL6418503 0.76 MEN1 (0.59) HSD11B1MAPT
SCHEMBL9819344 0.75 DRD2 (0.48) ALOX5HSD11B1MAPT
SCHEMBL9819272 0.74 SLC6A2 (0.56) HTR2AHTR2C
SCHEMBL9819404 0.74 MGLL (0.47) ALOX5ADRA1AADRA1BADRA1DHTR1A
SCHEMBL9819189 0.74 SRD5A1 (0.44)
SCHEMBL16799216 0.73 ALOX5 (0.46) ALOX5HSD11B1ADRA1AADRA1BADRA1D
SCHEMBL9819263 0.73 PKM (0.50) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61236724-A None JP disclosed
JP-60243017-A None JP disclosed
EP-0162669-B1 ANTICONVULSIVE COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-11 EP disclosed
JP-S61236724-A ANTISPASMODIC COMPOSITION KYOWA HAKKO KOGYO CO LTD 1986-10-22 JP disclosed
US-4588729-A Treating convulsions with dihydrouracil derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-05-13 US disclosed
JP-S60243017-A ANTISPASMODIC COMPOSITION KYOWA HAKKO KOGYO CO LTD 1985-12-03 JP disclosed
EP-0162669-A2 Anticonvulsive compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-11-27 EP disclosed