SCHEMBL649662

SCHEMBL649662

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(OC)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
DHFR P00374 5/20 0.38
THRB P10828 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
CASR P41180 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PPARD Q03181 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
P2RX3 P56373 1/20 0.35
PDE4B Q07343 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
SCHEMBL651011 0.92 C5AR1 (0.47) C5AR1CASRMEN1KMT2ASMN1; SMN2
SCHEMBL648764 0.91 C5AR1 (0.40) C5AR1DHFRFFAR4MEN1KMT2A
SCHEMBL648946 0.91 C5AR1 (0.41) C5AR1DHFRTHRBMEN1KMT2A
SCHEMBL1913011 0.90 C5AR1 (0.43) C5AR1CASRMEN1KMT2ASMN1; SMN2
SCHEMBL650105 0.90 C5AR1 (0.46) C5AR1MEN1KMT2AALDH1A1P2RX3
SCHEMBL649941 0.88 C5AR1 (0.41) C5AR1DHFRMEN1KMT2ASMN1; SMN2
SCHEMBL648191 0.87 C5AR1 (0.46) C5AR1CASRMEN1KMT2ASMN1; SMN2
SCHEMBL5136743 0.87 C5AR1 (0.45) C5AR1DHFRMEN1KMT2AALDH1A1
SCHEMBL649523 0.86 MEN1 (0.46) C5AR1MEN1KMT2AP2RX3CRHR1
SCHEMBL5137122 0.86 MEN1 (0.46) C5AR1MEN1KMT2ASMN1; SMN2LMNA

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 6 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
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