SCHEMBL6511003

SCHEMBL6511003

O=C(NCc1ccc(OCc2cccc(C(Cl)(Cl)Cl)c2)cc1)[C@@H]1CCCN1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.73
HTR2B P41595 3/20 0.73
HDAC1 Q13547 4/20 0.56
HDAC3 O15379 2/20 0.56
HDAC2 Q92769 1/20 0.56
KDM4E B2RXH2 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
PDGFRA P16234 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
GID4 Q8IVV7 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL6508988 0.90 HTR2C (0.73) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6511035 0.90 HTR2C (0.73) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6507511 0.87 HTR2C (0.77) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6508031 0.85 HTR2C (0.77) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6510239 0.85 HTR2C (0.77) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL20111165 0.85 HTR2C (1.00) HTR2CHTR2BHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL30001584 0.84 HTR2C (0.76) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6510388 0.84 HTR2C (0.72) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6510385 0.83 HTR2C (0.73) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL15833076 0.83 HTR2C (0.61) 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