SCHEMBL8296146

SCHEMBL8296146

COc1ccccc1N1CCN(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
DRD3 P35462 1/20 0.59
DRD4 P21917 1/20 0.58
HTR1A P08908 4/20 0.57

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
SCHEMBL10438586 0.81 DRD2 (0.71) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL6934502 0.81 DRD2 (0.66) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL8363314 0.80 DRD2 (0.77) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL6930794 0.78 DRD2 (0.66) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL6526368 0.78 DRD2 (0.85) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL31060769 0.77 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL3261221 0.77 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL8577935 0.76 DRD2 (0.72) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL7600435 0.76 DRD2 (0.74) DRD2DRD3DRD4
SCHEMBL5442134 0.76 ADRA1D (1.00) DRD2ADRA1DADRA1AADRA1BDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625514-B1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1999-08-25 EP disclosed
US-5420130-A Adrenergic blocking agents SYNTHELABO (FR) 1995-05-30 US disclosed
EP-0625514-A1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-11-23 EP disclosed
US-5164397-A Hypotensive SYNTHELABO (FR) 1992-11-17 US disclosed
EP-0435749-A1 Derivatives of 2-aminopyrimidine-4-carboxamide, their preparation and therapeutic use SYNTHELABO (FR) 1991-07-03 EP disclosed