SCHEMBL648929

SCHEMBL648929

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.55
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
UBE2M P61081 3/20 0.40
DCUN1D1 Q96GG9 3/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 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
SCHEMBL649896 0.94 C5AR1 (0.57) C5AR1ALDH1A1NPSR1SMN1; SMN2UBE2M
SCHEMBL1913048 0.93 C5AR1 (0.56) C5AR1ALDH1A1NPSR1SMN1; SMN2UBE2M
SCHEMBL650118 0.91 C5AR1 (0.63) C5AR1ALDH1A1NPSR1SMN1; SMN2UBE2M
SCHEMBL648841 0.91 C5AR1 (0.65) C5AR1ALDH1A1NPSR1SMN1; SMN2UBE2M
SCHEMBL649436 0.91 C5AR1 (0.54) C5AR1ALDH1A1NPSR1SMN1; SMN2UBE2M
SCHEMBL5136775 0.91 C5AR1 (0.63) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL650214 0.89 C5AR1 (0.51) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL649080 0.89 C5AR1 (0.56) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL1912842 0.89 C5AR1 (0.62) C5AR1ALDH1A1NPSR1SMN1; SMN2UBE2M
SCHEMBL1913036 0.88 C5AR1 (0.55) C5AR1ALDH1A1NPSR1SMN1; SMN2UBE2M

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