SCHEMBL6510397

SCHEMBL6510397

O=C(NCc1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.58
HTR2B P41595 6/20 0.58
GID4 Q8IVV7 1/20 0.54
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR2A P28223 4/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G1B P04054 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 1/20 0.44
KCNH2 Q12809 2/20 0.43
SCN3A Q9NY46 2/20 0.43

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
SCHEMBL6509968 0.88 HTR2C (0.57) HTR2CHTR2BGID4KDM4EHDAC3
SCHEMBL20510961 0.85 HTR2C (0.68) HTR2CHTR2BGID4HTR2AKDM4E
SCHEMBL20510918 0.85 HTR2C (0.68) HTR2CHTR2BGID4HTR2AKDM4E
SCHEMBL6518480 0.84 HTR2C (0.68) HTR2CHTR2BGID4HTR2AKDM4E
SCHEMBL6510239 0.84 HTR2C (0.77) HTR2CHTR2BKDM4EHDAC3HDAC1
SCHEMBL6508031 0.84 HTR2C (0.77) HTR2CHTR2BKDM4EHDAC3HDAC1
Hydrochloric Acid SCHEMBL30001584 0.83 HTR2C (0.76) HTR2CHTR2BKDM4EHDAC3HDAC1
SCHEMBL6508698 0.81 HTR2C (0.72) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6507506 0.81 HTR2C (0.72) HTR2CHTR2BHDAC3HDAC1HDAC2
Fumaric Acid SCHEMBL20510427 0.81 HTR2C (0.62) HTR2CHTR2BGID4LMNAHTR2A

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
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 claimed
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