SCHEMBL1912908

SCHEMBL1912908

CCCC[C@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1cc(C)c(O)c(C)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 5/20 0.36
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
KDM4E B2RXH2 4/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 3/20 0.34
ALDH1A1 P00352 5/20 0.34
HTT P42858 2/20 0.34
SIRT2 Q8IXJ6 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
SCHEMBL1912905 1.00 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651097 0.94 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912895 0.94 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL4763555 0.92 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651003 0.91 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912903 0.87 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912901 0.87 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL652022 0.86 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648119 0.86 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650178 0.86 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1

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 5 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-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