SCHEMBL1912902

SCHEMBL1912902

CCCC[C@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1ccc2c(c1)OCC2)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
CXCR3 P49682 17/20 0.41
KCNH2 Q12809 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL1912900 1.00 C5AR1 (0.46) C5AR1CXCR3KCNH2CNR2
SCHEMBL5134524 1.00 C5AR1 (0.46) C5AR1CXCR3KCNH2CNR2
SCHEMBL649760 0.91 C5AR1 (0.47) C5AR1CXCR3
SCHEMBL648056 0.91 C5AR1 (0.47) C5AR1CXCR3
SCHEMBL648933 0.89 C5AR1 (0.59) C5AR1CXCR3
SCHEMBL1912894 0.89 C5AR1 (0.59) C5AR1CXCR3
SCHEMBL1912901 0.87 C5AR1 (0.60) C5AR1CXCR3KCNH2
SCHEMBL1912903 0.87 C5AR1 (0.60) C5AR1CXCR3KCNH2
SCHEMBL1912906 0.83 C5AR1 (0.39) C5AR1CXCR3
SCHEMBL1912904 0.83 C5AR1 (0.39) C5AR1CXCR3

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