SCHEMBL650505

SCHEMBL650505

CCCCn1c(-c2ccccc2)nc(-c2ccc(C)cc2)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ BCHE P06276 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ ATP4A P20648 1/20 0.36
▸ ATP4B P51164 1/20 0.36
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CACNA2D1 P54289 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
SCHEMBL650569 0.95 C5AR1 (0.44) C5AR1MAPTBCHESMN1; SMN2TSHR
SCHEMBL649258 0.95 C5AR1 (0.45) C5AR1MAPTBCHETSHRTNK2
SCHEMBL649417 0.94 C5AR1 (0.43) C5AR1MAPTBCHETSHRPPARG
SCHEMBL651401 0.93 C5AR1 (0.42) C5AR1MAPTBCHEPPARGPPARA
SCHEMBL649083 0.93 C5AR1 (0.42) C5AR1MAPTBCHESMN1; SMN2TSHR
SCHEMBL648177 0.93 C5AR1 (0.42) C5AR1MAPTBCHETSHRTNK2
SCHEMBL650373 0.93 TP53 (0.41) C5AR1MAPTBCHESMN1; SMN2TSHR
SCHEMBL648091 0.92 C5AR1 (0.44) C5AR1MAPTBCHETSHRATP4A
SCHEMBL652368 0.91 C5AR1 (0.39) C5AR1MAPTBCHESMN1; SMN2TSHR
SCHEMBL649256 0.91 C5AR1 (0.59) C5AR1MAPTSMN1; SMN2TSHRPPARG

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
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