SCHEMBL6510239

SCHEMBL6510239

O=C(NCc1ccc(OCc2cccc(F)c2)cc1)C1CCCN1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.77
HTR2B P41595 3/20 0.77
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 1/20 0.58
KCNH2 Q12809 3/20 0.54
SCN3A Q9NY46 2/20 0.54
MAOB P27338 3/20 0.51
MAOA P21397 2/20 0.51
SCN9A Q15858 1/20 0.51
PPARA Q07869 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL6508031 1.00 HTR2C (0.77) HTR2CHTR2BHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL30001584 0.99 HTR2C (0.76) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6507506 0.97 HTR2C (0.72) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6508698 0.97 HTR2C (0.72) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6518480 0.92 HTR2C (0.68) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6507511 0.88 HTR2C (0.77) HTR2CHTR2BHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL30001565 0.87 HTR2C (0.80) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6511035 0.87 HTR2C (0.73) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6508988 0.87 HTR2C (0.73) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL20111165 0.87 HTR2C (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255801-A1 BENZYLOXY-BENZYLAMINYL AMINO ACID DERIVATIVE FOR ADJUSTING TSLP/TSLPR SIGNAL TRANSMISSION (주)앰틱스바이오 2022-12-08 WO disclosed
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