SCHEMBL18508622

SCHEMBL18508622

CCc1cc(Cl)c2cnn(C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.37
PTGER3 P43115 2/20 0.35
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
DRD3 P35462 2/20 0.34
BCDIN3D Q7Z5W3 4/20 0.32
CCR4 P51679 1/20 0.32
PDE2A O00408 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL26520685 0.79 ALDH1A2 (0.34) PTGER3DRD4MEN1KMT2ATP53
SCHEMBL15730130 0.78 PDE2A (0.39) PTGER3CCR4PDE2AMEN1KMT2A
SCHEMBL13131389 0.75 PDE4D (0.39) PHGDHPTGER3HTR1ADRD2DRD4
SCHEMBL31479209 0.75 NMT1 (0.46) PTGER3CCR4PDE2AMEN1KMT2A
SCHEMBL16617267 0.75 NMT1 (0.46) PTGER3CCR4PDE2AMEN1KMT2A
SCHEMBL13168862 0.73 PDE1A (0.32) PTGER3HTR1ADRD2DRD4HTR2A
SCHEMBL30240957 0.70 TTR (0.43) PHGDHPTGER3MEN1KMT2A
SCHEMBL8172855 0.69 MPO (0.47)
SCHEMBL31479488 0.67 PTGER3 (0.36) PTGER3
SCHEMBL8537036 0.67 CCR4 (0.54) CCR4PDE2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed