SCHEMBL649094

SCHEMBL649094

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(Cl)c(F)c1)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
CXCR3 P49682 10/20 0.34
CCR4 P51679 1/20 0.34
CRHR1 P34998 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL650928 0.94 C5AR1 (0.43) C5AR1CCR4CRHR1TSHRKDM4E
SCHEMBL5135166 0.93 C5AR1 (0.45) C5AR1CCR4CRHR1TSHRKDM4E
SCHEMBL5136646 0.93 C5AR1 (0.45) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL647602 0.91 C5AR1 (0.42) C5AR1CCR4CRHR1TSHRKDM4E
SCHEMBL651431 0.90 C5AR1 (0.43) C5AR1CCR4CRHR1TSHRKDM4E
SCHEMBL651006 0.90 C5AR1 (0.42) C5AR1CCR4CRHR1TSHRKDM4E
SCHEMBL5135694 0.89 C5AR1 (0.44) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL647516 0.89 C5AR1 (0.43) C5AR1CCR4CRHR1TSHRKDM4E
SCHEMBL5135678 0.88 C5AR1 (0.43) C5AR1TSHRKDM4EALDH1A1CYP3A4
SCHEMBL5137114 0.88 C5AR1 (0.43) C5AR1CRHR1TSHRKDM4EALDH1A1

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