SCHEMBL652022

SCHEMBL652022

CCCC[C@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1cccc(C(F)(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.59
UBE2M P61081 7/20 0.43
DCUN1D1 Q96GG9 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV4 Q9HBA0 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
ACHE P22303 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL648119 1.00 C5AR1 (0.59) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL4763555 0.92 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912895 0.92 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651097 0.92 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL649838 0.91 C5AR1 (0.61) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL649441 0.91 C5AR1 (0.61) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL1912905 0.86 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912908 0.86 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912983 0.86 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL649461 0.86 C5AR1 (0.59) 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 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