SCHEMBL651500

SCHEMBL651500

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(C)c(O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
MDM2 Q00987 6/20 0.38
CRHR1 P34998 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TACR1 P25103 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
SCHEMBL4766543 0.92 C5AR1 (0.45) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL5136901 0.91 C5AR1 (0.46) C5AR1MDM2CRHR1TSHRKDM4E
SCHEMBL5135363 0.87 C5AR1 (0.44) C5AR1MDM2CRHR1TSHRKDM4E
SCHEMBL5136579 0.87 C5AR1 (0.44) C5AR1MDM2CRHR1TSHRKDM4E
SCHEMBL4774335 0.87 C5AR1 (0.44) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL652310 0.85 C5AR1 (0.42) C5AR1MDM2CRHR1TSHRKDM4E
SCHEMBL5137466 0.85 DHFR (0.42) C5AR1TSHRKDM4EALDH1A1
SCHEMBL649150 0.85 C5AR1 (0.41) C5AR1TSHRALDH1A1
SCHEMBL5136142 0.84 C5AR1 (0.42) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL5137404 0.84 CRHR1 (0.43) C5AR1MDM2CRHR1TSHRKDM4E

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