SCHEMBL647762

SCHEMBL647762

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(C(F)(F)F)ccc1Cl)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
CCR4 P51679 3/20 0.38
CRHR1 P34998 8/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TRPV4 Q9HBA0 2/20 0.34
HDAC1 Q13547 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ADORA1 P30542 1/20 0.34
MDM2 Q00987 1/20 0.34
DHFR P00374 1/20 0.33

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
SCHEMBL649769 0.93 C5AR1 (0.40) C5AR1CCR4CRHR1TRPV4HDAC1
SCHEMBL651073 0.91 CCR4 (0.42) C5AR1CCR4CRHR1TRPV4HDAC1
SCHEMBL646859 0.91 C5AR1 (0.39) C5AR1CCR4CRHR1TRPV4HDAC1
SCHEMBL5135152 0.89 C5AR1 (0.41) C5AR1CCR4CRHR1HDAC1BCHE
SCHEMBL5134723 0.88 C5AR1 (0.42) C5AR1CCR4CRHR1BCHEMDM2
SCHEMBL650435 0.87 C5AR1 (0.42) C5AR1CCR4CRHR1TRPV4ADORA1
SCHEMBL650021 0.87 C5AR1 (0.41) C5AR1CCR4CRHR1TRPV4HDAC1
SCHEMBL650191 0.87 C5AR1 (0.41) C5AR1CRHR1CNR1CNR2HDAC1
SCHEMBL647602 0.87 C5AR1 (0.42) C5AR1CCR4CRHR1HDAC1
SCHEMBL651851 0.86 C5AR1 (0.40) C5AR1CCR4CRHR1HDAC1BCHE

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