SCHEMBL648144

SCHEMBL648144

CCCCn1c(-c2ccccc2C)nc(-c2ccccc2)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
METAP2 P50579 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAOA P21397 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
SCHEMBL648859 0.93 C5AR1 (0.56) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL1913079 0.93 C5AR1 (0.48) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL1913067 0.92 C5AR1 (0.47) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648590 0.90 C5AR1 (0.40) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL652511 0.90 C5AR1 (0.39) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL651441 0.89 C5AR1 (0.40) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648344 0.89 C5AR1 (0.63) C5AR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL650039 0.89 C5AR1 (0.49) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL2349254 0.88 C5AR1 (0.47) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL14572888 0.88 C5AR1 (0.53) C5AR1MEN1KMT2ALMNASMN1; 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 6 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
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