SCHEMBL648473

SCHEMBL648473

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(Cc1ccc(C(N)=O)c(OC(C)=O)c1)CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
BCHE P06276 4/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A9 P48067 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
PARP1 P09874 1/20 0.33
SLC2A1 P11166 1/20 0.32
HDAC1 Q13547 1/20 0.32
THRB P10828 1/20 0.32
OXTR P30559 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
SCHEMBL10289126 0.92 C5AR1 (0.36) C5AR1BCHELMNAMAPTKMT2A
SCHEMBL648105 0.91 C5AR1 (0.38) C5AR1PARP15PARP10BCHELMNA
SCHEMBL649269 0.91 C5AR1 (0.36) C5AR1BCHELMNAMAPTKMT2A
SCHEMBL648694 0.89 C5AR1 (0.39) C5AR1BCHEMAPTALDH1A1PARP1
SCHEMBL5225249 0.89 C5AR1 (0.38) C5AR1PARP15PARP10BCHELMNA
SCHEMBL1913054 0.86 C5AR1 (0.52) C5AR1LMNAMAPTKMT2AMEN1
SCHEMBL1913052 0.86 C5AR1 (0.37) C5AR1BCHELMNAMAPTKMT2A
SCHEMBL647832 0.86 AGTR1 (0.41) C5AR1BCHELMNAMAPTKMT2A
SCHEMBL1913025 0.86 C5AR1 (0.41) C5AR1BCHELMNAALDH1A1HDAC1
SCHEMBL651698 0.86 NPC1 (0.36) PARP15PARP10BCHELMNAMAPT

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