SCHEMBL650117

SCHEMBL650117

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccccc1)Cc1ccc(OC)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CRHR1 P34998 9/20 0.41
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MEP1B Q16820 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1H3 Q13133 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
SCHEMBL649943 0.92 C5AR1 (0.38) C5AR1CRHR1TP53GAASMN1; SMN2
SCHEMBL648908 0.91 CRHR1 (0.40) C5AR1CRHR1TSHR
SCHEMBL649931 0.90 C5AR1 (0.47) C5AR1CRHR1TP53GAASMN1; SMN2
SCHEMBL648292 0.88 CRHR1 (0.42) C5AR1CRHR1ACHETSHR
SCHEMBL650398 0.87 CRHR1 (0.48) C5AR1CRHR1TSHRNR1H3
SCHEMBL651357 0.87 C5AR1 (0.37) C5AR1CRHR1TSHR
SCHEMBL5170483 0.86 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2MEP1B
SCHEMBL652274 0.85 CRHR1 (0.43) C5AR1CRHR1TSHR
SCHEMBL650192 0.85 CRHR1 (0.45) C5AR1CRHR1TSHR
SCHEMBL1912916 0.84 C5AR1 (0.47) C5AR1CRHR1TP53GAASMN1; SMN2

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