SCHEMBL5135984

SCHEMBL5135984

CCCCN(Cc1cc(C)c(O)c(C)c1)Cc1c(-c2ccccc2OC)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L2 Q92843 1/20 0.39
C5AR1 P21730 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR1 P34998 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CASR P41180 1/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PAX8 Q06710 1/20 0.34

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
SCHEMBL5136839 0.92 C5AR1 (0.42) BCL2L2C5AR1MEN1KMT2ACRHR1
SCHEMBL5138077 0.90 C5AR1 (0.39) BCL2L2C5AR1MEN1KMT2ACRHR1
SCHEMBL5134684 0.89 C5AR1 (0.41) BCL2L2C5AR1MEN1KMT2ATAAR1
SCHEMBL5136086 0.89 C5AR1 (0.41) BCL2L2C5AR1MEN1KMT2ATAAR1
SCHEMBL5137101 0.89 BCHE (0.42) BCL2L2C5AR1MEN1KMT2ACRHR1
SCHEMBL4774335 0.88 C5AR1 (0.44) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL5136727 0.87 ATP4A (0.40) C5AR1CRHR1TSHRGAAKDM4E
SCHEMBL5136254 0.87 C5AR1 (0.39) BCL2L2C5AR1CASRTSHRSMN1; SMN2
SCHEMBL5134767 0.86 MAPT (0.40) BCL2L2C5AR1MEN1KMT2ATAAR1
SCHEMBL5136142 0.86 C5AR1 (0.42) C5AR1CRHR1TSHRTP53KDM4E

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-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed