SCHEMBL649970

SCHEMBL649970

CCCCN(Cc1ccc2c(c1)OCO2)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.44
F2R P25116 4/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL650391 0.91 C5AR1 (0.59) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL649868 0.91 C5AR1 (0.66) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL5137882 0.91 C5AR1 (0.71) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL5137483 0.90 C5AR1 (0.67) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL648830 0.90 C5AR1 (0.64) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL651051 0.87 C5AR1 (0.71) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL5135736 0.86 C5AR1 (0.70) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL5136055 0.86 C5AR1 (0.65) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL5135265 0.86 C5AR1 (0.65) C5AR1SMN1; SMN2TDP1TSHRF2R
SCHEMBL5136318 0.86 C5AR1 (0.65) C5AR1SMN1; SMN2TDP1TSHRF2R

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