SCHEMBL9400966

SCHEMBL9400966

CCN1C(=O)N(CCCN2CCN(c3ncccn3)CC2)Sc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.56
DRD3 P35462 5/20 0.53
DRD2 P14416 4/20 0.53
DRD4 P21917 2/20 0.53
HTR1A P08908 4/20 0.50
HTR2A P28223 2/20 0.46
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL9400851 0.86 HTR1A (0.53) KDM1ADRD3DRD2DRD4HTR1A
SCHEMBL9480683 0.76 HTR1A (0.64) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL9400965 0.74 HTR1A (0.64) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL9400884 0.70 DRD2 (0.39) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL9401031 0.70 HTR1A (0.95) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL14762044 0.69 DRD2 (1.00) DRD3DRD2DRD4
SCHEMBL9286378 0.68 LMNA (0.59) DRD3DRD2HTR1AHTR2A
SCHEMBL9401029 0.68 HTR1A (0.68) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL6866193 0.68 DRD2 (0.74) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL10565838 0.67 DRD2 (0.44) DRD3DRD2DRD4HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 US disclosed