SCHEMBL7256608

SCHEMBL7256608

OC1CCN(Cc2cnn(-c3ccc(-c4ccccc4)cc3)c2-c2ccccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.42
F10 P00742 7/20 0.41
CD274 Q9NZQ7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SMO Q99835 1/20 0.38
ACHE P22303 1/20 0.38
F2 P00734 4/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5907351 0.94 F10 (0.44) F10CD274F2
SCHEMBL5739300 0.89 KDM4E (0.45) SSTR5CD274KDM4ELMNAMEN1
SCHEMBL7256624 0.87 KDM4E (0.44) SSTR5F10KDM4ELMNAKMT2A
SCHEMBL5739302 0.86 SSTR5 (0.43) SSTR5F10KDM4ELMNAKMT2A
SCHEMBL5227102 0.86 LMNA (0.44) SSTR5KDM4ELMNAMEN1KMT2A
SCHEMBL7256580 0.85 SSTR5 (0.42) SSTR5KDM4ELMNADRD2DRD4
SCHEMBL7257441 0.85 SSTR5 (0.42) SSTR5DRD2DRD4DRD3SMO
SCHEMBL7262116 0.85 SMO (0.45) SSTR5KDM4EKMT2ADRD2DRD4
SCHEMBL1689504 0.85 SMO (0.45) SSTR5DRD2DRD4DRD3SMO
SCHEMBL7260439 0.84 SSTR5 (0.46) SSTR5KDM4EDRD2DRD4DRD3

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
WO-2003031435-A1 PYRAZOLE DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS MERCK PATENT GMBH (DE) 2003-04-17 WO disclosed