SCHEMBL1024989

SCHEMBL1024989

C[C@H]1CCCN1CCSc1cnc(N)s1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.41
CDK2 P24941 1/20 0.37
KCNH2 Q12809 2/20 0.37
HTR3A P46098 1/20 0.36

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
SCHEMBL2020769 0.82 SPHK2 (0.37) HRH3CDK2
SCHEMBL2020772 0.82 SPHK2 (0.37) HRH3CDK2
SCHEMBL1023537 0.81 MYC (0.35) CDK2
SCHEMBL12635793 0.81 SLC6A9 (0.36)
SCHEMBL2025538 0.79 LTA4H (0.44) KCNH2
SCHEMBL2025542 0.79 LTA4H (0.44) KCNH2
SCHEMBL2023375 0.78 KDM4E (0.41) HRH3
SCHEMBL2023377 0.78 KDM4E (0.41) HRH3
SCHEMBL1347559 0.76 ALOX15 (0.48) HRH3CDK2
SCHEMBL1024539 0.74 CDK2 (0.41) CDK2

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
EP-2275414-B1 CYCLOPENTYLACRYLAMIDE DERIVATIVE KYORIN SEIYAKU KK (JP) 2015-06-10 EP disclosed
EP-2275414-A1 CYCLOPENTYLACRYLIC ACID AMIDE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2011-01-19 EP disclosed