SCHEMBL649868

SCHEMBL649868

CCCCN(Cc1ccc2c(c1)OCO2)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.66
TSHR P16473 2/20 0.43
KDM4E B2RXH2 3/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GNRHR P30968 1/20 0.40
F2R P25116 3/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
USP2 O75604 1/20 0.38
ALPG P10696 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5137882 0.96 C5AR1 (0.71) C5AR1TSHRKDM4EGFERSMN1; SMN2
SCHEMBL5137483 0.95 C5AR1 (0.67) C5AR1TSHRKDM4EGFERSMN1; SMN2
SCHEMBL5136554 0.94 C5AR1 (0.58) C5AR1TSHRKDM4EGFERSMN1; SMN2
SCHEMBL648830 0.94 C5AR1 (0.64) C5AR1TSHRKDM4ESMN1; SMN2TDP1
SCHEMBL652877 0.93 C5AR1 (0.66) C5AR1TSHRKDM4EGFERSMN1; SMN2
SCHEMBL651051 0.93 C5AR1 (0.71) C5AR1TSHRKDM4EGFERSMN1; SMN2
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1TSHRKDM4EGFERSMN1; SMN2
SCHEMBL5135265 0.92 C5AR1 (0.65) C5AR1TSHRKDM4ESMN1; SMN2TDP1
SCHEMBL5136055 0.92 C5AR1 (0.65) C5AR1TSHRKDM4ESMN1; SMN2TDP1
SCHEMBL5136318 0.92 C5AR1 (0.65) C5AR1TSHRKDM4ESMN1; SMN2TDP1

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