SCHEMBL651344

SCHEMBL651344

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc2c(c1)OCCO2)CC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GBA1 P04062 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 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
SCHEMBL648634 0.96 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL650241 0.92 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1913071 0.90 C5AR1 (0.47) C5AR1PTGDR2TSHRCYP2C8CYP2C9
SCHEMBL652376 0.90 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL647648 0.88 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL650591 0.88 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649735 0.87 C5AR1 (0.45) C5AR1SMN1; SMN2LMNAL3MBTL1PTGDR2
SCHEMBL1912840 0.87 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649257 0.87 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL648693 0.87 C5AR1 (0.55) 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 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