SCHEMBL1912912

SCHEMBL1912912

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1[C@H](C)N(Cc1ccc2c(c1)OCC2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
F2R P25116 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 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
SCHEMBL651559 1.00 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650902 0.93 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651831 0.93 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL4770465 0.91 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912901 0.91 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912903 0.91 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651497 0.89 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650905 0.89 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912932 0.87 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648043 0.87 C5AR1 (0.60) 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 4 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