SCHEMBL650600

SCHEMBL650600

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(C)c(OC(F)F)c(C)c1)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
CCR4 P51679 2/20 0.34
CRHR1 P34998 6/20 0.34
BCHE P06276 3/20 0.34
TSHR P16473 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
HDAC1 Q13547 1/20 0.33
ALOX15 P16050 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
ACHE P22303 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
SCHEMBL651027 0.90 C5AR1 (0.41) C5AR1CCR4CRHR1BCHETSHR
SCHEMBL650100 0.89 C5AR1 (0.40) C5AR1CCR4CRHR1BCHETSHR
SCHEMBL648763 0.88 C5AR1 (0.40) C5AR1CCR4CRHR1BCHETSHR
SCHEMBL650339 0.88 C5AR1 (0.41) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL651135 0.87 C5AR1 (0.41) C5AR1CCR4CRHR1BCHETSHR
SCHEMBL5170971 0.87 C5AR1 (0.42) C5AR1CCR4CRHR1BCHETSHR
SCHEMBL649952 0.87 C5AR1 (0.41) C5AR1CRHR1BCHETSHRKDM4E
SCHEMBL650474 0.86 C5AR1 (0.42) C5AR1CCR4CRHR1BCHETSHR
SCHEMBL5137864 0.86 C5AR1 (0.44) C5AR1BCHETSHRKDM4EALDH1A1
SCHEMBL650011 0.86 C5AR1 (0.38) C5AR1CCR4CRHR1BCHETSHR

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