SCHEMBL6511728

SCHEMBL6511728

COc1cc(OCc2ccccc2F)ccc1CNC(=O)C1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.57
HTR2B P41595 5/20 0.57
HTR2A P28223 4/20 0.57
GID4 Q8IVV7 1/20 0.55
PARP15 Q460N3 1/20 0.51
PARP10 Q53GL7 1/20 0.51
KDM4E B2RXH2 1/20 0.50
KCNH2 Q12809 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 1/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
SCN3A Q9NY46 2/20 0.44

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
SCHEMBL6511884 1.00 HTR2C (0.57) HTR2CHTR2BHTR2AGID4PARP15
SCHEMBL20510494 0.88 HTR2C (0.71) HTR2CHTR2BHTR2AGID4PARP15
SCHEMBL6511004 0.84 KDM4E (0.68) HTR2CHTR2BHTR2AGID4KDM4E
Trifluoroacetic Acid SCHEMBL20510471 0.84 HTR2C (0.65) HTR2CHTR2BHTR2AGID4KDM4E
SCHEMBL20510514 0.83 HTR2C (0.69) HTR2CHTR2BHTR2AGID4KDM4E
SCHEMBL20510457 0.81 HTR2C (0.69) HTR2CHTR2BHTR2AGID4KDM4E
SCHEMBL6507699 0.81 KMT2A (0.57) HTR2CHTR2BHTR2AGID4KDM4E
SCHEMBL6513706 0.79 GID4 (0.59) HTR2CHTR2BHTR2AGID4KDM4E
SCHEMBL6514406 0.77 HTR2C (0.54) HTR2CHTR2BHTR2AGID4KDM4E
SCHEMBL6510966 0.77 HTR2C (0.54) HTR2CHTR2BHTR2AGID4KDM4E

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
WO-2005040108-A1 PROLINAMIDE DERIVATIVES AS SODIUM AND/OR CALCIUM CHANNEL BLOCKERS OR SELECTIVE MAO-B INHIBITORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO disclosed