SCHEMBL9200264

SCHEMBL9200264

COc1ccc(Cl)cc1N1CCN(CCNc2nccc(C(=O)O)n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 12/20 0.78
ADRA1D P25100 11/20 0.78
ADRA1B P35368 11/20 0.78
HTR1A P08908 6/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL9193925 0.95 ADRA1D (0.87) ADRA1AADRA1DADRA1BHTR1ALMNA
SCHEMBL9200004 0.93 ADRA1A (0.90) ADRA1AADRA1DADRA1BHTR1ALMNA
SCHEMBL9468949 0.93 ADRA1A (0.78) ADRA1AADRA1DADRA1BHTR1ALMNA
SCHEMBL9201176 0.90 ADRA1A (0.66) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL9486450 0.90 ADRA1A (0.73) ADRA1AADRA1DADRA1BHTR1ALMNA
SCHEMBL9317007 0.88 ADRA1D (0.87) ADRA1AADRA1DADRA1BHTR1ALMNA
SCHEMBL5597266 0.88 ADRA1D (1.00) ADRA1AADRA1DADRA1BHTR1ALMNA
SCHEMBL9195086 0.86 ADRA1D (0.63) ADRA1AADRA1DADRA1BHTR1ALMNA
SCHEMBL9197027 0.86 ADRA1A (0.70) ADRA1AADRA1DADRA1BHTR1ALMNA
SCHEMBL9202997 0.86 ADRA1A (0.65) ADRA1AADRA1DADRA1BHTR1ALMNA

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
EP-0520883-B1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1995-07-12 EP disclosed
EP-0520883-A1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1992-12-30 EP disclosed