SCHEMBL6510385

SCHEMBL6510385

O=C(NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@@H]1CCCN1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.73
HTR2B P41595 3/20 0.73
HDAC1 Q13547 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC2 Q92769 1/20 0.58
KDM4E B2RXH2 1/20 0.52
HTR2A P28223 2/20 0.47
S1PR1 P21453 2/20 0.47
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
S1PR5 Q9H228 1/20 0.47
ADAM17 P78536 1/20 0.46
GID4 Q8IVV7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL30604550 0.88 HTR2C (0.81) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6507511 0.88 HTR2C (0.77) HTR2CHTR2BHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL30001608 0.87 HTR2C (0.80) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6510388 0.85 HTR2C (0.72) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL20111165 0.84 HTR2C (1.00) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6510239 0.83 HTR2C (0.77) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6508031 0.83 HTR2C (0.77) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6511003 0.83 HTR2C (0.73) HTR2CHTR2BHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL30001565 0.83 HTR2C (0.80) HTR2CHTR2BHDAC1HDAC3HDAC2
SCHEMBL6511990 0.83 HTR2C (0.80) 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