SCHEMBL650379

SCHEMBL650379

CCCCn1c(CN(C)C2CCCc3ccccc32)cnc1-c1c(CC)cccc1CC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
P4HB P07237 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCR4 P61073 7/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34
C5AR1 P21730 2/20 0.34

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
SCHEMBL650173 0.84 MEN1 (0.42) SIGMAR1ALDH1A1XBP1HTTMEN1
SCHEMBL651120 0.82 MEN1 (0.41) SIGMAR1ALDH1A1XBP1HTTMEN1
SCHEMBL650242 0.82 MEN1 (0.41) SIGMAR1ALDH1A1XBP1HTTMEN1
SCHEMBL650514 0.82 MEN1 (0.41) SIGMAR1ALDH1A1XBP1HTTMEN1
SCHEMBL652934 0.80 KMT2A (0.39) SIGMAR1ALDH1A1XBP1HTTMEN1
SCHEMBL64660 0.73 ALDH1A1 (0.42) ALDH1A1XBP1HTTMEN1P4HB
SCHEMBL650625 0.73 MEN1 (0.44) SIGMAR1ALDH1A1XBP1HTTMEN1
SCHEMBL1328886 0.72 C5AR1 (0.43) ALDH1A1XBP1HTTMEN1P4HB
SCHEMBL74254 0.72 ALDH1A1 (0.40) ALDH1A1XBP1HTTMEN1P4HB
SCHEMBL1913092 0.72 MEN1 (0.44) SIGMAR1ALDH1A1XBP1HTTMEN1

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