SCHEMBL649695

SCHEMBL649695

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)CCC(=O)N2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.59
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
GNRHR P30968 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 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
SCHEMBL650310 0.92 C5AR1 (0.52) C5AR1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL651748 0.91 C5AR1 (0.44) C5AR1LMNAALDH1A1TSHRHSD17B10
SCHEMBL650841 0.89 C5AR1 (0.44) C5AR1LMNAALDH1A1TSHRMAPT
SCHEMBL4767016 0.87 C5AR1 (0.75) C5AR1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL5135929 0.86 C5AR1 (0.72) C5AR1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL648190 0.85 C5AR1 (0.65) C5AR1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL649255 0.85 C5AR1 (0.71) C5AR1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL649645 0.84 C5AR1 (0.70) C5AR1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL648372 0.84 C5AR1 (0.70) C5AR1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL1913022 0.84 C5AR1 (0.69) C5AR1LMNAALDH1A1TSHRSMN1; SMN2

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