SCHEMBL5633367

SCHEMBL5633367

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cc[c]cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GBA1 P04062 1/20 0.35
TSHR P16473 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL652376 0.94 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL648614 0.92 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL648693 0.92 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1912840 0.91 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL650515 0.91 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649257 0.90 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1913081 0.89 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL651035 0.89 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL648139 0.89 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649661 0.89 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1

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-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed