SCHEMBL647917

SCHEMBL647917

CCCCn1c(-c2ccccc2)nc(-c2cccc(C)c2)c1CN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.54
F2R P25116 2/20 0.38
TP53 P04637 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CETP P11597 2/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
GNRHR P30968 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL650055 0.96 C5AR1 (0.54) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL648225 0.96 C5AR1 (0.59) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL651747 0.94 C5AR1 (0.54) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL647658 0.94 C5AR1 (0.56) C5AR1F2RTP53HTR2AHTR2C
SCHEMBL650172 0.94 C5AR1 (0.53) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL649608 0.94 C5AR1 (0.53) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL647664 0.94 C5AR1 (0.53) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL647949 0.93 C5AR1 (0.52) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL651076 0.93 C5AR1 (0.52) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL649924 0.93 C5AR1 (0.52) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2

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