SCHEMBL649941

SCHEMBL649941

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(OC)cc(OC)c1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
DHFR P00374 5/20 0.38
GPR55 Q9Y2T6 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
MITF O75030 1/20 0.36
CRHR1 P34998 2/20 0.36
TRPV4 Q9HBA0 2/20 0.36
ADORA2B P29275 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GNRHR P30968 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
SCHEMBL650105 0.91 C5AR1 (0.46) C5AR1TSHRMEN1KMT2ACRHR1
SCHEMBL648946 0.91 C5AR1 (0.41) C5AR1TSHRDHFRMEN1KMT2A
SCHEMBL1912975 0.90 TSHR (0.49) C5AR1TSHRMAPK1CRHR1SMN1; SMN2
SCHEMBL651220 0.90 C5AR1 (0.41) C5AR1GRIN1GRIN2BMEN1KMT2A
SCHEMBL648166 0.89 C5AR1 (0.43) C5AR1TSHRDHFRMEN1KMT2A
SCHEMBL5136743 0.89 C5AR1 (0.45) C5AR1TSHRDHFRMEN1KMT2A
SCHEMBL653237 0.88 C5AR1 (0.40) C5AR1MEN1KMT2ATRPV4ADORA2B
SCHEMBL649662 0.88 C5AR1 (0.42) C5AR1GRIN1GRIN2BDHFRMEN1
SCHEMBL648926 0.88 C5AR1 (0.41) C5AR1MEN1KMT2ASMN1; SMN2
SCHEMBL649523 0.88 MEN1 (0.46) C5AR1TSHRMEN1KMT2ACRHR1

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