SCHEMBL650465

SCHEMBL650465

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1[C@@H](C)N(Cc1cc(C)c(O)c(C)c1)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
TSHR P16473 4/20 0.34
BCHE P06276 2/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP3A4 P08684 3/20 0.34
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CXCR3 P49682 4/20 0.32
ACHE P22303 1/20 0.32
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR2 P34972 1/20 0.31
PDE6D O43924 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL1912913 1.00 C5AR1 (0.40) C5AR1TSHRBCHEALDH1A1HPGD
SCHEMBL1912904 0.90 C5AR1 (0.39) C5AR1TSHRBCHEALDH1A1HPGD
SCHEMBL1912906 0.90 C5AR1 (0.39) C5AR1TSHRBCHEALDH1A1HPGD
SCHEMBL4763752 0.86 C5AR1 (0.42) C5AR1TSHRALDH1A1HPGDKDM4E
SCHEMBL647842 0.85 C5AR1 (0.40) C5AR1ADORA2BADORA1
SCHEMBL649169 0.85 C5AR1 (0.40) C5AR1ADORA2BADORA1
SCHEMBL648047 0.84 C5AR1 (0.61) C5AR1ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL1912909 0.84 C5AR1 (0.61) C5AR1ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL650033 0.83 C5AR1 (0.39) C5AR1TSHRBCHEALDH1A1HPGD
SCHEMBL648055 0.83 C5AR1 (0.39) C5AR1TSHRBCHEALDH1A1HPGD

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