SCHEMBL1729776

SCHEMBL1729776

COc1ccc2nc(N3CCC(CCN(CC(=O)NCC4CC4)C(=O)O)CC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
ACACB O00763 10/20 0.44
ACACA Q13085 9/20 0.44
KCNH2 Q12809 1/20 0.43
NAPEPLD Q6IQ20 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ACHE P22303 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1727774 0.92 HRH3 (0.48) HRH3ACACBACACAKCNH2ACHE
SCHEMBL1728923 0.91 HRH3 (0.49) HRH3ACACBACACAACHEMAPT
SCHEMBL1729217 0.87 HRH3 (0.51) HRH3ACACBACHEKDM4EUSP2
SCHEMBL1729769 0.85 HRH3 (0.48) HRH3ACACBACACAKCNH2ACHE
SCHEMBL3266113 0.81 HRH3 (0.47) HRH3ACACBACACAKCNH2ACHE
SCHEMBL1729968 0.80 HRH3 (0.58) HRH3ACACBACHEALDH1A1MAPT
SCHEMBL1730141 0.79 CHRM4 (0.40) HRH3CKS1BSKP1SKP2ACHE
SCHEMBL1729306 0.78 HRH3 (0.46) HRH3ACACBACACAKCNH2
SCHEMBL1728164 0.76 KDM4E (0.45) HRH3ACACBACACAKCNH2KDM4E
SCHEMBL1729773 0.76 HRH3 (0.44) HRH3ACACBACACAKCNH2NAPEPLD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed