SCHEMBL650550

SCHEMBL650550

CCCCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
CRHR1 P34998 4/20 0.43
TSHR P16473 3/20 0.40
TACR1 P25103 10/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL5071389 0.95 CRHR1 (0.42) C5AR1CRHR1TSHRTACR1
SCHEMBL647725 0.94 C5AR1 (0.41) C5AR1CRHR1TSHRTACR1KDM4E
SCHEMBL649523 0.92 MEN1 (0.46) C5AR1CRHR1TSHR
SCHEMBL5135363 0.91 C5AR1 (0.44) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL5137122 0.89 MEN1 (0.46) C5AR1CRHR1TSHR
SCHEMBL5137404 0.88 CRHR1 (0.43) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL651250 0.88 C5AR1 (0.45) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL649161 0.88 C5AR1 (0.47) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL5134817 0.88 CRHR1 (0.43) C5AR1CRHR1
SCHEMBL5136579 0.87 C5AR1 (0.44) 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