SCHEMBL6508698

SCHEMBL6508698

O=C(NCc1ccc(OCc2cccc(F)c2)cc1)C1CCCCN1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.72
HTR2B P41595 3/20 0.72
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 1/20 0.55
KCNH2 Q12809 4/20 0.53
SCN3A Q9NY46 2/20 0.53
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
SCN9A Q15858 1/20 0.50
PPARA Q07869 1/20 0.49
NR4A2 P43354 1/20 0.48

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
SCHEMBL6507506 1.00 HTR2C (0.72) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6510239 0.97 HTR2C (0.77) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6508031 0.97 HTR2C (0.77) HTR2CHTR2BHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL30001584 0.96 HTR2C (0.76) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6518480 0.89 HTR2C (0.68) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6510388 0.88 HTR2C (0.72) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6507511 0.85 HTR2C (0.77) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6511035 0.84 HTR2C (0.73) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6508988 0.84 HTR2C (0.73) HTR2CHTR2BHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL30001565 0.84 HTR2C (0.80) HTR2CHTR2BHDAC3HDAC1HDAC2

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