SCHEMBL648047

SCHEMBL648047

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1[C@@H](C)N(Cc1ccc2c(c1)OCO2)CC1CCCCC1

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 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.37
F2R P25116 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
CXCR3 P49682 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 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
SCHEMBL1912909 1.00 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1CTSL
SCHEMBL1912894 0.91 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1CTSL
SCHEMBL648933 0.91 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1CTSL
SCHEMBL651831 0.90 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL650902 0.90 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL648056 0.89 C5AR1 (0.47) C5AR1CXCR3
SCHEMBL649760 0.89 C5AR1 (0.47) C5AR1CXCR3
SCHEMBL4770465 0.89 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL651497 0.88 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL650905 0.88 C5AR1 (0.68) 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 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-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed