SCHEMBL649838

SCHEMBL649838

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1[C@@H](C)N(Cc1cccc(C(F)(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.61
UBE2M P61081 8/20 0.44
DCUN1D1 Q96GG9 8/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV4 Q9HBA0 2/20 0.39
FLT1 P17948 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL649441 1.00 C5AR1 (0.61) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL4770465 0.92 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651831 0.92 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650902 0.92 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648119 0.91 C5AR1 (0.59) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL652022 0.91 C5AR1 (0.59) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL650905 0.88 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651497 0.88 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648377 0.87 C5AR1 (0.62) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL651003 0.86 C5AR1 (0.63) 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