SCHEMBL650606

SCHEMBL650606

CCCCn1c(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
C5AR1 P21730 1/20 0.40
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
P2RX3 P56373 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SLC2A1 P11166 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
KMT2A Q03164 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
SCHEMBL5134518 0.96 MAPT (0.39) MAPTC5AR1TP53RXFP1ATP4A
SCHEMBL651033 0.95 C5AR1 (0.44) MAPTC5AR1TSHRALDH1A1KDM4E
SCHEMBL651956 0.94 C5AR1 (0.43) MAPTC5AR1TSHRALDH1A1KDM4E
SCHEMBL650580 0.93 C5AR1 (0.41) MAPTC5AR1RXFP1TSHRALDH1A1
SCHEMBL1913032 0.92 C5AR1 (0.41) MAPTC5AR1TP53TSHRALDH1A1
SCHEMBL650574 0.92 C5AR1 (0.41) MAPTC5AR1TP53TSHRPOLB
SCHEMBL648391 0.92 C5AR1 (0.38) MAPTC5AR1RXFP1POLBPPARG
SCHEMBL653383 0.91 C5AR1 (0.39) MAPTC5AR1TSHRPPARGALDH1A1
SCHEMBL650182 0.91 C5AR1 (0.40) MAPTC5AR1TP53TSHRALDH1A1
SCHEMBL5135971 0.91 C5AR1 (0.41) MAPTC5AR1TP53TSHRALDH1A1

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 9 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
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed