SCHEMBL4007004

SCHEMBL4007004

O=C(C1CCC1)N(c1cccnc1)[C@]1(c2ccccc2)CCCNC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.34
CCR5 P51681 3/20 0.34
CNR2 P34972 1/20 0.34
OPRL1 P41146 4/20 0.33
OPRM1 P35372 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A9 P48067 1/20 0.32
CYP3A4 P08684 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
HTT P42858 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
SCHEMBL4005563 0.89 LMNA (0.34) CCR5OPRL1OPRM1SLC6A2SLC6A4
SCHEMBL4004182 0.86 HTT (0.40) OPRL1OPRM1MEN1KMT2AALDH1A1
SCHEMBL4298027 0.74 OPRL1 (0.42) OPRL1OPRM1
SCHEMBL18451142 0.69 PTGIR (0.43) PTGIRKMT2AALDH1A1CYP3A4HTT
SCHEMBL18450921 0.67 ALDH1A1 (0.44) PTGIRALDH1A1CYP3A4HTT
SCHEMBL18437353 0.66 ALDH1A1 (0.46) PTGIRALDH1A1CYP3A4
SCHEMBL31169920 0.64 NOTUM (0.41) MEN1KMT2ACYP3A4
SCHEMBL2592597 0.64 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL18438166 0.64 CYP3A4 (0.47) PTGIRKMT2AKCNA5ALDH1A1CYP3A4
SCHEMBL25225928 0.63 MEN1 (0.44) MEN1KMT2AALDH1A1LMNA

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
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed