SCHEMBL5785145

SCHEMBL5785145

Cc1ccc2oc(NCC(C)CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SSTR5 P35346 4/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
FBP1 P09467 1/20 0.38
PIK3CA P42336 1/20 0.38
CCR3 P51677 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5783867 0.89 SSTR5 (0.49) HTR1DHTR1BSSTR5HRH1HTR2B
SCHEMBL5782519 0.83 AURKB (0.46) SSTR5HRH1HTR2BFBP1CCR3
SCHEMBL6322893 0.80 CCR3 (0.43) SSTR5HRH1HTR2BSIGMAR1FBP1
SCHEMBL6326359 0.74 SSTR5 (0.52) HTR1DHTR1BSSTR5HRH1HTR2B
SCHEMBL5786731 0.73 SIGMAR1 (0.47) HTR1DHTR1BSSTR5HRH1HTR2B
SCHEMBL5784295 0.73 CCR1 (0.46) HTR1DHTR1BSSTR5SIGMAR1CCR3
SCHEMBL6737174 0.72 CCR3 (0.57) SIGMAR1CCR3SMN1; SMN2
SCHEMBL5781019 0.70 SIGMAR1 (0.56) SIGMAR1CCR3POLBSMN1; SMN2
SCHEMBL11932448 0.70 SIGMAR1 (0.62) SIGMAR1POLBSMN1; SMN2
SCHEMBL6326205 0.69 SSTR5 (0.51) SSTR5HRH1HTR2BSIGMAR1

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
EP-1680408-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
WO-2005040129-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed