SCHEMBL649436

SCHEMBL649436

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.54
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
UBE2M P61081 4/20 0.40
DCUN1D1 Q96GG9 4/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL651025 0.96 C5AR1 (0.48) C5AR1ALDH1A1NPSR1SIRT2SMN1; SMN2
SCHEMBL649896 0.93 C5AR1 (0.57) C5AR1ALDH1A1NPSR1SIRT2SMN1; SMN2
SCHEMBL1913048 0.92 C5AR1 (0.56) C5AR1ALDH1A1NPSR1SIRT2SMN1; SMN2
SCHEMBL648929 0.91 C5AR1 (0.55) C5AR1ALDH1A1NPSR1SIRT2SMN1; SMN2
SCHEMBL5136520 0.91 C5AR1 (0.61) C5AR1ALDH1A1NPSR1SIRT2SMN1; SMN2
SCHEMBL649946 0.90 C5AR1 (0.51) C5AR1ALDH1A1NPSR1SIRT2SMN1; SMN2
SCHEMBL650118 0.90 C5AR1 (0.63) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL1913086 0.90 AGTR1 (0.41) C5AR1ALDH1A1TSHRMAPTKDM4E
SCHEMBL648841 0.90 C5AR1 (0.65) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL649777 0.90 C5AR1 (0.55) C5AR1ALDH1A1NPSR1SIRT2SMN1; 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 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