SCHEMBL648140

SCHEMBL648140

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)c(OC)c1)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ABCB1 P08183 1/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD1 P21728 4/20 0.35
DRD4 P21917 4/20 0.35
HTR2C P28335 4/20 0.35
DRD3 P35462 4/20 0.35

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
SCHEMBL5136497 0.94 C5AR1 (0.41) C5AR1TP53MEN1KMT2AMAPT
SCHEMBL5136024 0.94 C5AR1 (0.41) C5AR1TP53GAASMN1; SMN2LMNA
SCHEMBL5135694 0.93 C5AR1 (0.44) C5AR1TP53GAASMN1; SMN2POLB
SCHEMBL5137096 0.93 C5AR1 (0.42) C5AR1TP53GAASMN1; SMN2MEN1
SCHEMBL648592 0.91 C5AR1 (0.43) C5AR1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL647832 0.91 AGTR1 (0.41) C5AR1LMNAMEN1POLBKMT2A
SCHEMBL651438 0.89 C5AR1 (0.40) C5AR1LMNAMEN1POLBKMT2A
SCHEMBL5137557 0.89 C5AR1 (0.42) C5AR1TP53GAASMN1; SMN2LMNA
SCHEMBL5137356 0.89 MEN1 (0.45) C5AR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL648304 0.88 C5AR1 (0.41) C5AR1MEN1KMT2ADRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US 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