SCHEMBL649530

SCHEMBL649530

CCCCn1c(-c2ccccc2)nc(-c2cccc(OC(F)(F)F)c2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GNRHR P30968 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
F2R P25116 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL651747 0.95 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1DYRK1A
SCHEMBL1912828 0.95 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1DYRK1A
SCHEMBL650064 0.93 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL652078 0.91 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL650168 0.91 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL648225 0.90 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL649608 0.90 C5AR1 (0.53) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL649042 0.90 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL651150 0.90 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL651076 0.89 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M

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