SCHEMBL651074

SCHEMBL651074

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC(F)F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
TSHR P16473 2/20 0.35
P2RX3 P56373 1/20 0.33
CRHR1 P34998 2/20 0.33
BCHE P06276 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM2 Q14416 2/20 0.32
PDE4B Q07343 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.31
CACNA1H O95180 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL1913005 0.96 C5AR1 (0.42) C5AR1TSHRP2RX3CRHR1BCHE
SCHEMBL5135869 0.95 C5AR1 (0.41) C5AR1TSHRP2RX3CRHR1KDM4E
SCHEMBL650548 0.94 C5AR1 (0.43) C5AR1TSHRCRHR1BCHEKDM4E
SCHEMBL650869 0.93 C5AR1 (0.45) C5AR1TSHRCRHR1BCHEKDM4E
SCHEMBL650152 0.93 C5AR1 (0.40) C5AR1TSHRP2RX3CRHR1MEN1
SCHEMBL648891 0.92 C5AR1 (0.44) C5AR1TSHRCRHR1BCHEKDM4E
SCHEMBL649804 0.91 C5AR1 (0.39) C5AR1TSHRSMN1; SMN2KMT2A
SCHEMBL648908 0.91 CRHR1 (0.40) C5AR1TSHRCRHR1
SCHEMBL650099 0.91 C5AR1 (0.43) C5AR1TSHRCRHR1BCHEKDM4E
SCHEMBL649931 0.90 C5AR1 (0.47) C5AR1TSHRCRHR1BCHEKDM4E

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 6 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
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