SCHEMBL5135255

SCHEMBL5135255

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(=O)O)c1)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
AVPR1B P47901 2/20 0.40
HDAC1 Q13547 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPM1D O15297 1/20 0.36
MEP1B Q16820 2/20 0.36
PTGES O14684 1/20 0.35
PTGER4 P35408 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGIR P43119 1/20 0.35
LTA4H P09960 1/20 0.35
WDR5 P61964 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL5137352 0.92 TLR7 (0.42) C5AR1AVPR1BTLR7
SCHEMBL5137681 0.91 PTGES (0.44) C5AR1HDAC1PTGESLTA4H
SCHEMBL5137864 0.89 C5AR1 (0.44) C5AR1HDAC1
SCHEMBL5136637 0.88 C5AR1 (0.45) C5AR1NPC1SMN1; SMN2MEP1BLTA4H
SCHEMBL5135268 0.87 C5AR1 (0.42) C5AR1AVPR1BHDAC1
SCHEMBL5137356 0.86 MEN1 (0.45) C5AR1SMN1; SMN2WDR5TLR7
SCHEMBL650435 0.86 C5AR1 (0.42) C5AR1
SCHEMBL5135054 0.85 C5AR1 (0.40) C5AR1HDAC1PTGES
SCHEMBL648532 0.85 C5AR1 (0.41) C5AR1AVPR1BTLR7
SCHEMBL5135713 0.85 C5AR1 (0.44) C5AR1HDAC1PTGES

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