SCHEMBL6963151

SCHEMBL6963151

CCCCCc1ccc(C(=O)Oc2ccc3c(c2)CCN(c2nc(Nc4ccc(F)cc4)nc(C)c2C)C3C)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PPARA Q07869 5/20 0.34
PPARG P37231 4/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ABCB1 P08183 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL6961241 0.95 HTR2A (0.36) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6962285 0.94 SMN1; SMN2 (0.35) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6957959 0.93 SMN1; SMN2 (0.38) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6958365 0.92 MAPT (0.38) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6966918 0.90 SMN1; SMN2 (0.36) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6958506 0.89 SMN1; SMN2 (0.39) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6962207 0.88 SMN1; SMN2 (0.38) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6961412 0.88 SMN1; SMN2 (0.37) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6964622 0.87 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1
SCHEMBL6957189 0.87 SMN1; SMN2 (0.37) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP claimed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed