SCHEMBL648378

SCHEMBL648378

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(C)Cc1ccc2c(c1)OCO2.c1ccc2c(c1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
UBE2M P61081 3/20 0.36
DCUN1D1 Q96GG9 3/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35
HIF1A Q16665 1/20 0.35
GBA1 P04062 1/20 0.34

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
SCHEMBL1912843 0.90 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL649595 0.87 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL1912842 0.86 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648841 0.85 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650118 0.84 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912838 0.84 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL649792 0.83 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL647749 0.83 C5AR1 (0.73) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650680 0.80 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648190 0.80 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1KCNH2

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 1 patent. 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