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SCHEMBL649388

SCHEMBL649388

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc2c(c1)CCO2)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.53
▸ KCNH2 Q12809 2/20 0.40
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GBA1 P04062 1/20 0.35
▸ CHRM5 P08912 3/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL1912841 0.97 C5AR1 (0.58) C5AR1KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL652376 0.94 C5AR1 (0.58) C5AR1LMNASMN1; SMN2L3MBTL1GBA1
SCHEMBL650678 0.92 C5AR1 (0.47) C5AR1KCNH2CHRM5CHRM1TSHR
SCHEMBL653131 0.92 C5AR1 (0.59) C5AR1KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL1912840 0.91 C5AR1 (0.63) C5AR1LMNASMN1; SMN2L3MBTL1GBA1
SCHEMBL648693 0.91 C5AR1 (0.55) C5AR1LMNASMN1; SMN2L3MBTL1GBA1
SCHEMBL648614 0.91 C5AR1 (0.55) C5AR1KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL649257 0.90 C5AR1 (0.56) C5AR1LMNASMN1; SMN2L3MBTL1GBA1
SCHEMBL651035 0.89 C5AR1 (0.54) C5AR1LMNASMN1; SMN2L3MBTL1GBA1
SCHEMBL1913081 0.89 C5AR1 (0.54) C5AR1LMNASMN1; SMN2L3MBTL1GBA1

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 11 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
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS 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
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 — — WO disclosed