SCHEMBL648933

SCHEMBL648933

CCCC[C@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1ccc2c(c1)OCO2)CC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 1/20 0.36
CXCR3 P49682 3/20 0.36
F2R P25116 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL1912894 1.00 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1CTSL
SCHEMBL1912909 0.91 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1CTSL
SCHEMBL648047 0.91 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1CTSL
SCHEMBL1912895 0.91 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL651097 0.91 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL5134524 0.89 C5AR1 (0.46) C5AR1CXCR3
SCHEMBL1912900 0.89 C5AR1 (0.46) C5AR1CXCR3
SCHEMBL1912902 0.89 C5AR1 (0.46) C5AR1CXCR3
SCHEMBL4763555 0.89 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL650178 0.85 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 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