SCHEMBL8520010

SCHEMBL8520010

CN(C)CCN(CCN(C)C)c1ccccc1-c1nc2ncncc2[nH]1.CN(CCN1CCCCC1)c1ccccc1-c1nc2ncncc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
CCR2 P41597 1/20 0.37
NPY5R Q15761 1/20 0.35
TBK1 Q9UHD2 3/20 0.33
ACHE P22303 2/20 0.32
PTGES O14684 1/20 0.32
PDE5A O76074 1/20 0.31
CARM1 Q86X55 1/20 0.31
SLC6A4 P31645 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31
GRIN2B Q13224 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL7156999 0.94 HRH3 (0.44) HRH3METAP2METAP1CCR2NPY5R
SCHEMBL7156840 0.87 NPY5R (0.38) HRH3METAP2METAP1CCR2NPY5R
SCHEMBL7153868 0.86 METAP2 (0.48) METAP2METAP1NPY5RACHEPTGES
SCHEMBL7546719 0.80 HRH3 (0.48) HRH3PDE5A
SCHEMBL8556563 0.80 METAP2 (0.43) METAP2METAP1NPY5RPTGESPDE5A
SCHEMBL7157333 0.79 HRH3 (0.47) HRH3CCR2TBK1ACHEGRIN2B
SCHEMBL7553497 0.78 HRH3 (0.47) HRH3METAP2METAP1CCR2NPY5R
SCHEMBL7171505 0.77 CCR2 (0.61) METAP2METAP1CCR2NPY5RTBK1
SCHEMBL7159244 0.76 CCR2 (0.51) HRH3METAP2METAP1CCR2NPY5R
SCHEMBL7549627 0.76 HRH3 (0.52) HRH3CCR2ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed