SCHEMBL648534

SCHEMBL648534

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc(O)nc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GBA1 P04062 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TSHR P16473 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL648682 0.92 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL652376 0.92 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1912840 0.89 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL648133 0.89 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL648614 0.88 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL648693 0.88 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649257 0.87 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1912789 0.87 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1913090 0.87 C5AR1 (0.47) C5AR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL651035 0.87 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1

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 8 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
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