SCHEMBL651004

SCHEMBL651004

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2R P25116 2/20 0.42
MAPT P10636 2/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL649889 0.97 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL648036 0.94 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL652971 0.93 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL1912861 0.92 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL650779 0.92 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL1913022 0.92 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL652169 0.92 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL652766 0.92 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL650262 0.91 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1F2R

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