SCHEMBL6511990

SCHEMBL6511990

O=C(NCc1ccc(OCc2ccncc2)cc1)[C@@H]1CCCN1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.80
HTR2B P41595 3/20 0.80
HDAC1 Q13547 4/20 0.62
HDAC3 O15379 2/20 0.62
HDAC2 Q92769 1/20 0.62
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 1/20 0.45
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
HTR2A P28223 1/20 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
SCHEMBL20111165 0.89 HTR2C (1.00) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL13405361 0.88 HTR2C (0.66) HTR2CHTR2BHDAC1KDM4ECCNK
SCHEMBL30604550 0.88 HTR2C (0.81) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6509331 0.87 HTR2C (0.77) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL30604551 0.87 HTR2C (0.77) HTR2CHTR2BHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL30001565 0.87 HTR2C (0.80) HTR2CHTR2BHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL30001608 0.87 HTR2C (0.80) HTR2CHTR2BHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL30002187 0.86 HTR2C (0.75) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6510813 0.84 HTR2C (0.75) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6510385 0.83 HTR2C (0.73) HTR2CHTR2BHDAC1HDAC3HDAC2

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