SCHEMBL651698

SCHEMBL651698

CCCCn1c(-c2ccncc2)nc(-c2ccc(OC)cc2)c1CN(Cc1ccc(C(N)=O)c(O)c1)CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TEK Q02763 2/20 0.35
LMNA P02545 5/20 0.35
ALDH1A1 P00352 3/20 0.35
SLC2A1 P11166 1/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 1/20 0.34
ITK Q08881 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CDC7 O00311 1/20 0.33
AVPR1B P47901 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL648105 0.94 C5AR1 (0.38) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL650630 0.92 MKNK1 (0.36) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL651697 0.91 PDE4B (0.37) NPC1RAB9ATEKLMNAALDH1A1
SCHEMBL1913025 0.88 C5AR1 (0.41) LMNAALDH1A1CNR2AVPR1BKDM4E
SCHEMBL5225249 0.86 C5AR1 (0.38) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL648650 0.86 PDK1 (0.35) ALDH1A1SLC2A1HTTMAPTNPSR1
SCHEMBL648473 0.86 C5AR1 (0.37) LMNAALDH1A1SLC2A1HTTMAPT
SCHEMBL648253 0.84 TSHR (0.41) MAPT
SCHEMBL650278 0.84 C5AR1 (0.40) CNR2
SCHEMBL648586 0.83 C5AR1 (0.39) MAPTBCHE

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