SCHEMBL649461

SCHEMBL649461

CCCC[C@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 1/20 0.37
MAPT P10636 3/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
GNRHR P30968 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
BMP1 P13497 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1912983 1.00 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1PTPN1
SCHEMBL4763555 0.92 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL651097 0.92 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL1912895 0.92 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL1912985 0.91 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1PTPN1
SCHEMBL650840 0.91 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1PTPN1
SCHEMBL1913038 0.87 C5AR1 (0.50) C5AR1SMN1; SMN2LMNAL3MBTL1PTPN1
SCHEMBL652022 0.86 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL648119 0.86 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL1912908 0.86 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1MAPT

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