SCHEMBL7326705

SCHEMBL7326705

CN(CCCc1ccncc1)C1CCc2c(N)cccc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.48
GRIN1 Q05586 2/20 0.48
DRD2 P14416 6/20 0.42
DRD1 P21728 4/20 0.42
CYP19A1 P11511 2/20 0.40
DRD3 P35462 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL7328536 0.97 GRIN2B (0.49) GRIN2BGRIN1DRD2DRD1CYP19A1
SCHEMBL7329812 0.96 GRIN2B (0.48) GRIN2BGRIN1DRD2DRD1DRD3
SCHEMBL7333718 0.93 DRD2 (0.46) GRIN2BGRIN1DRD2DRD1CYP19A1
SCHEMBL7327607 0.90 GRIN2B (0.54) GRIN2BGRIN1DRD2DRD1DRD3
SCHEMBL7335055 0.88 GRIN2B (0.48) GRIN2BGRIN1DRD2DRD1DRD3
SCHEMBL7326822 0.87 DRD2 (0.48) DRD2DRD1DRD3CYP1A2CYP3A4
SCHEMBL7329005 0.86 GRIN2B (0.55) GRIN2BGRIN1DRD2DRD1DRD3
SCHEMBL7334553 0.86 CYP19A1 (0.43) GRIN2BDRD2DRD1CYP19A1DRD3
SCHEMBL7327800 0.85 GRIN2B (0.54) GRIN2BGRIN1DRD2DRD1DRD3
SCHEMBL7329980 0.85 GRIN2B (0.49) GRIN2BGRIN1DRD2DRD3

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-0402923-A2 2,5-Diaminotetralines, process for their preparation and their use as medicine BOEHRINGER INGELHEIM KG (DE) 1990-12-19 EP disclosed