SCHEMBL28754669

SCHEMBL28754669

COc1ncc(C)nc1N1CCC(COc2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KCNN4 O15554 1/20 0.41
HTR7 P34969 3/20 0.40
HTR2B P41595 3/20 0.40
HTR4 Q13639 3/20 0.40
HTR2C P28335 2/20 0.40
HTR3A P46098 2/20 0.40
RBP4 P02753 6/20 0.39
TTR P02766 3/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
DCPS Q96C86 2/20 0.39
CYP2D6 P10635 1/20 0.39
EGFR P00533 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
HTR1A P08908 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL27599587 0.94 POLB (0.44) POLBHTR7RBP4TTRHTR1A
SCHEMBL28754613 0.90 RBP4 (0.42) RBP4TTRCYP2D6FFAR4
SCHEMBL27618132 0.89 POLB (0.48) POLBRBP4TTRCHRNB4CHRNA3
SCHEMBL27599579 0.86 POLB (0.40) POLBKCNN4HTR7HTR2BHTR4
SCHEMBL27599339 0.85 POLB (0.42) POLBKCNN4HTR7HTR2BHTR4
SCHEMBL1475707 0.84 DCPS (0.46) POLBHTR7HTR2BHTR4HTR2C
SCHEMBL27618123 0.80 HTR2C (0.37) POLBHTR2CCYP2D6FFAR4
SCHEMBL27599441 0.80 DRD2 (0.45) HTR7RBP4CHRNB4CHRNA3HTR1A
SCHEMBL5213268 0.79 MAOA (0.42) RBP4TTRHTR2A
SCHEMBL27617858 0.79 HTR4 (0.38) POLBKCNN4HTR7HTR2BHTR4

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
CN-100389113-C Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2008-05-21 CN disclosed
CN-1630650-A Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2005-06-22 CN disclosed