SCHEMBL9947643

SCHEMBL9947643

CS(=O)(=O)N1CC=C(c2ccc(OC(C3CCNCC3)C(C3CCC3)C(F)(F)F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.36
CDK9 P50750 14/20 0.36
PTGDR Q13258 1/20 0.34
SYK P43405 1/20 0.34
ENPP2 Q13822 1/20 0.34
TDO2 P48775 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL9947615 0.98 CCNT1 (0.36) CCNT1CDK9PTGDRSYKENPP2
SCHEMBL982441 0.96 CCNT1 (0.37) CCNT1CDK9PTGDRSYKENPP2
SCHEMBL979615 0.86 CCNT1 (0.38) CCNT1CDK9PTGDRSYKTDO2
SCHEMBL980834 0.82 CCNT1 (0.37) CCNT1CDK9PTGDRENPP2TDO2
SCHEMBL978848 0.82 CCNT1 (0.42) CCNT1CDK9PTGDRSYKTDO2
SCHEMBL979909 0.80 CCNT1 (0.37) CCNT1CDK9PTGDRENPP2TDO2
SCHEMBL1052390 0.72 ADORA3 (0.44) CCNT1CDK9SYKTDO2
SCHEMBL980281 0.72 TDP1 (0.48) CCNT1CDK9SYKTDO2
SCHEMBL980915 0.71 CCNT1 (0.48) CCNT1CDK9
SCHEMBL981820 0.70 PTGDR (0.39) CCNT1CDK9PTGDRSYKENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207344-B2 GPR119 agonists ELI LILLY AND COMPANY (US) 2012-06-26 US disclosed