SCHEMBL1912932

SCHEMBL1912932

CCCCN(Cc1ccc2c(c1)OCCO2)[C@@H](C)c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GBA1 P04062 1/20 0.36
TSHR P16473 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CXCR3 P49682 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL648043 1.00 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL650905 0.95 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL651497 0.95 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL651831 0.90 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL650902 0.90 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL4770465 0.89 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL651559 0.87 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1912912 0.87 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL651003 0.84 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL5072359 0.84 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1

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