SCHEMBL651035

SCHEMBL651035

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(CC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.54
PTGDR2 Q9Y5Y4 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GBA1 P04062 1/20 0.36
TSHR P16473 3/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL648693 0.95 C5AR1 (0.55) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL652376 0.95 C5AR1 (0.58) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL648139 0.93 C5AR1 (0.54) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL1913081 0.93 C5AR1 (0.54) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL1912840 0.92 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649928 0.92 C5AR1 (0.52) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL648614 0.91 C5AR1 (0.55) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL648949 0.91 PTGDR2 (0.51) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL649257 0.90 C5AR1 (0.56) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL648111 0.90 C5AR1 (0.51) C5AR1PTGDR2SMN1; SMN2LMNAL3MBTL1

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 4 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-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