SCHEMBL3978825

SCHEMBL3978825

Cc1ccc(CNCC2(F)CCN(C(=O)c3cnn4ccccc34)CC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
DRD2 P14416 2/20 0.68
DRD4 P21917 2/20 0.68
DRD3 P35462 2/20 0.68

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
SCHEMBL3974080 0.88 HTR1A (0.78) HTR1ADRD2DRD4DRD3
SCHEMBL3977281 0.82 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL3979504 0.81 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL27561954 0.80 HTR1A (0.77) HTR1ADRD2DRD4DRD3
SCHEMBL3976254 0.79 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL3974046 0.79 HTR1A (0.70) HTR1ADRD2DRD4DRD3
SCHEMBL13843745 0.79 HTR1A (0.75) HTR1ADRD2DRD4DRD3
SCHEMBL13843794 0.79 HTR1A (0.78) HTR1ADRD2DRD4DRD3
SCHEMBL3977653 0.78 HTR1A (0.74) HTR1ADRD2DRD4DRD3
SCHEMBL3972935 0.78 HTR1A (0.74) HTR1ADRD2DRD4DRD3

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-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 EP disclosed