SCHEMBL6961241

SCHEMBL6961241

CCCc1ccc(C(=O)Oc2ccc3c(c2)CCN(c2nc(Nc4ccc(F)cc4)nc(C)c2C)C3C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PPARA Q07869 5/20 0.33
PPARG P37231 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCB1 P08183 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL6963151 0.95 HTR2A (0.35) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6957959 0.95 SMN1; SMN2 (0.38) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6966918 0.94 SMN1; SMN2 (0.36) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6958365 0.91 MAPT (0.38) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6958506 0.91 SMN1; SMN2 (0.39) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6962207 0.90 SMN1; SMN2 (0.38) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6961412 0.90 SMN1; SMN2 (0.37) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6962285 0.90 SMN1; SMN2 (0.35) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL6964622 0.88 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1SCN9A
SCHEMBL6957189 0.88 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 3 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