SCHEMBL648849

SCHEMBL648849

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
TSHR P16473 2/20 0.33
P2RX7 Q99572 1/20 0.33
GNRHR P30968 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
BACE1 P56817 2/20 0.31
MMP13 P45452 1/20 0.31
BCHE P06276 1/20 0.31
PPARD Q03181 2/20 0.30
PPARA Q07869 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5136551 0.91 C5AR1 (0.41) C5AR1TSHRGNRHRALDH1A1LMNA
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL651956 0.90 C5AR1 (0.43) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL647986 0.90 C5AR1 (0.43) C5AR1TSHRP2RX7ALDH1A1HTT
SCHEMBL651639 0.89 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL650574 0.88 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTPOLB
SCHEMBL10288475 0.88 C5AR1 (0.42) C5AR1TSHRP2RX7ALDH1A1KDM4E
SCHEMBL5135971 0.87 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL650580 0.87 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL652505 0.87 C5AR1 (0.42) C5AR1TSHRALDH1A1HTTLMNA

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
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