SCHEMBL648023

SCHEMBL648023

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.54
GNRHR P30968 8/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2R P25116 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL648225 0.96 C5AR1 (0.59) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649608 0.95 C5AR1 (0.53) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL652078 0.95 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL647658 0.94 C5AR1 (0.56) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649067 0.94 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL647709 0.94 C5AR1 (0.55) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649974 0.94 C5AR1 (0.55) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649741 0.93 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL651975 0.92 C5AR1 (0.53) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649924 0.92 C5AR1 (0.52) C5AR1GNRHRHTR2AHTR2CHTR2B

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
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP claimed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US claimed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
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