SCHEMBL652002

SCHEMBL652002

CCCCN(Cc1ccc(C(N)=O)cc1)[C@@H](C)c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
C5AR1 P21730 1/20 0.41
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 2/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NPC1 O15118 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL647694 1.00 JAK2 (0.42) JAK2JAK1TYK2JAK3C5AR1
SCHEMBL647693 1.00 JAK2 (0.42) JAK2JAK1TYK2JAK3C5AR1
SCHEMBL4763885 0.95 C5AR1 (0.42) JAK2JAK1TYK2JAK3C5AR1
SCHEMBL650430 0.93 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647984 0.93 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647985 0.93 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL1912806 0.91 C5AR1 (0.41) JAK2JAK1TYK2JAK3C5AR1
SCHEMBL650693 0.90 LPAR1 (0.40) C5AR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL650681 0.90 LPAR1 (0.40) C5AR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1913632 0.85 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD

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 5 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-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