SCHEMBL649008

SCHEMBL649008

CCCCN(Cc1ccc(Cl)c(C(F)(F)F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
CRHR1 P34998 7/20 0.43
TSHR P16473 2/20 0.37
PYCR1 P32322 1/20 0.36
BCHE P06276 1/20 0.36
DHODH Q02127 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1912954 0.94 C5AR1 (0.45) C5AR1CRHR1TSHRPYCR1DHODH
SCHEMBL5134641 0.90 C5AR1 (0.45) C5AR1CRHR1TSHRBCHEHSD11B1
SCHEMBL648382 0.90 C5AR1 (0.48) C5AR1CRHR1TSHRBCHECNR1
SCHEMBL5135207 0.90 C5AR1 (0.42) C5AR1CRHR1TSHRBCHEMAPT
SCHEMBL652233 0.89 C5AR1 (0.46) C5AR1CRHR1TSHRBCHEHSD11B1
SCHEMBL650883 0.88 C5AR1 (0.45) C5AR1CRHR1TSHRBCHEHSD11B1
SCHEMBL648035 0.87 C5AR1 (0.46) C5AR1CRHR1TSHRBCHECNR1
SCHEMBL647609 0.87 C5AR1 (0.62) C5AR1TSHRMAPTKDM4EALDH1A1
SCHEMBL647602 0.87 C5AR1 (0.42) C5AR1CRHR1TSHRDHODHTP53
SCHEMBL650777 0.85 C5AR1 (0.46) C5AR1CRHR1TSHRBCHEKDM4E

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 8 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
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