SCHEMBL650681

SCHEMBL650681

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
C5AR1 P21730 1/20 0.40
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
AGTR1 P30556 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
MC4R P32245 1/20 0.36
CMKLR1 Q99788 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
FAAH O00519 1/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL650693 1.00 LPAR1 (0.40) LPAR1LPAR5C5AR1DRD2TBXA2R
SCHEMBL647985 0.91 C5AR1 (0.42) LPAR1LPAR5C5AR1ALDH1A1AGTR1
SCHEMBL650430 0.91 C5AR1 (0.42) LPAR1LPAR5C5AR1ALDH1A1AGTR1
SCHEMBL647984 0.91 C5AR1 (0.42) LPAR1LPAR5C5AR1ALDH1A1AGTR1
SCHEMBL1912806 0.90 C5AR1 (0.41) C5AR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL647694 0.90 JAK2 (0.42) C5AR1ALDH1A1TLR7KDM4EHPGD
SCHEMBL647693 0.90 JAK2 (0.42) C5AR1ALDH1A1TLR7KDM4EHPGD
SCHEMBL652002 0.90 JAK2 (0.42) C5AR1ALDH1A1TLR7KDM4EHPGD
SCHEMBL650955 0.84 LPAR1 (0.41) LPAR1LPAR5DRD2TBXA2RALDH1A1
SCHEMBL1913632 0.84 C5AR1 (0.42) C5AR1ALDH1A1ADORA2BKDM4EHPGD

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