SCHEMBL9195086

SCHEMBL9195086

COc1ccc(Cl)cc1N1CCN(CC(O)CNc2nccc(C(=O)O)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.63
ADRA1A P35348 6/20 0.63
ADRA1B P35368 6/20 0.63
RECQL P46063 1/20 0.43
ABCB1 P08183 2/20 0.42
HTR1A P08908 5/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
SLC6A4 P31645 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9017186 0.93 ADRA1D (0.73) ADRA1DADRA1AADRA1BRECQLABCB1
Hydrochloric Acid SCHEMBL9586428 0.92 ADRA1D (0.72) ADRA1DADRA1AADRA1BRECQLHTR1A
SCHEMBL9194958 0.90 ADRA1A (0.60) ADRA1DADRA1AADRA1BHTR1AHTR2A
SCHEMBL9199034 0.88 ADRA1A (0.62) ADRA1DADRA1AADRA1BHTR1AHTR2A
SCHEMBL9192958 0.87 ADRA1A (0.69) ADRA1DADRA1AADRA1BHTR1AHTR2A
SCHEMBL9200264 0.86 ADRA1A (0.78) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL9193925 0.84 ADRA1D (0.87) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL9570990 0.84 ADRA1D (0.72) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL9585946 0.84 ADRA1D (0.58) ADRA1DADRA1AADRA1BRECQLABCB1
SCHEMBL9017200 0.83 ADRA1D (0.59) ADRA1DADRA1AADRA1BRECQLHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577470-B1 2-Amino-N-[[[4-(aminocarbonyl)pyrimidin-2-yl]amino]alkyl]-pyrimidine-4-carboxamide derivates, their preparation and their use in therapeutics SYNTHELABO (FR) 1995-05-24 EP disclosed
US-5330985-A Adrenergic blocking agents; urogenital disorders SYNTHELABO (FR) 1994-07-19 US disclosed
EP-0577470-A1 2-Amino-N-[[[4-(aminocarbonyl)pyrimidin-2-yl]amino]alkyl]-pyrimidine-4-carboxamide derivates, their preparation and their use in therapeutics SYNTHELABO (FR) 1994-01-05 EP disclosed