SCHEMBL6937895

SCHEMBL6937895

CC1CCC(Nc2ccccc2C2CC2)=N1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 4/20 0.66
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
HSD17B10 Q99714 1/20 0.35
RIPK1 Q13546 1/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL13733678 0.79 NISCH (1.00) NISCHADRA2AADRA2B
SCHEMBL29196044 0.75 HSD17B10 (0.46) HSD17B10RIPK1PDPK1
SCHEMBL13731843 0.75 NISCH (0.63) NISCHADRA2AADRA2B
SCHEMBL6937198 0.73 ADRA2A (0.59) NISCHADRA2AADRA2B
SCHEMBL13733803 0.73 NISCH (0.76) NISCHADRA2AADRA2B
Hydrochloric Acid SCHEMBL7869920 0.72 ADRA2A (0.58) NISCHADRA2AADRA2B
SCHEMBL13731705 0.72 NISCH (1.00) NISCHADRA2AADRA2B
SCHEMBL13731943 0.72 NISCH (0.94) NISCHADRA2AADRA2B
Hydrochloric Acid SCHEMBL15467539 0.72 NISCH (0.74) NISCHADRA2AADRA2B
Hydrochloric Acid SCHEMBL15467688 0.71 NISCH (0.97) NISCHADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1101756-B1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-03-19 EP claimed
US-6300366-B1 FOR THERAPY OF CARDIOVASCULAR DISEASES, ESPECIALLY ARTERIAL HYPERTENSION, ARRHYTHMIA ADIR ET COMPAGNIE (FR) 2001-10-09 US claimed
EP-1101756-A1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-05-23 EP claimed
EP-1101756-B1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-03-19 EP disclosed
US-6300366-B1 FOR THERAPY OF CARDIOVASCULAR DISEASES, ESPECIALLY ARTERIAL HYPERTENSION, ARRHYTHMIA ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
EP-1101756-A1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-05-23 EP disclosed