SCHEMBL650118

SCHEMBL650118

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CRHR1 P34998 4/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
RAB9A P51151 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL648841 0.98 C5AR1 (0.65) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL1912842 0.96 C5AR1 (0.62) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL649792 0.94 C5AR1 (0.62) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL1912838 0.93 C5AR1 (0.57) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL649896 0.93 C5AR1 (0.57) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL5137578 0.92 C5AR1 (0.61) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL647995 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL1913048 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL649823 0.91 C5AR1 (0.55) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL1913036 0.91 C5AR1 (0.55) C5AR1SMN1; SMN2ALDH1A1NPSR1LMNA

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