SCHEMBL650633

SCHEMBL650633

CCCCn1c(-c2ccccc2)nc(Cl)c1N(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.61
PTGDR2 Q9Y5Y4 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
METAP2 P50579 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 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
SCHEMBL648633 0.89 C5AR1 (0.50) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL651442 0.86 C5AR1 (0.47) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL1913026 0.84 C5AR1 (0.56) C5AR1LMNASMN1; SMN2L3MBTL1PPARG
SCHEMBL649494 0.84 C5AR1 (0.44) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648110 0.83 C5AR1 (0.49) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL650859 0.83 C5AR1 (0.51) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648859 0.82 C5AR1 (0.56) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL1913083 0.82 C5AR1 (0.43) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL650062 0.82 C5AR1 (0.49) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL650031 0.82 C5AR1 (0.49) C5AR1PTGDR2ALDH1A1MAPK1OPRM1

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