SCHEMBL8018491

SCHEMBL8018491

CCC1CCc2ccccc2N1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.51
ACE P12821 1/20 0.49
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
MTNR1B P49286 1/20 0.44
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44

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
SCHEMBL3441713 0.86 ACE (0.47) MTNR1AACEMTNR1B
SCHEMBL7993369 0.84 DRD2 (0.54) ACE
SCHEMBL11756352 0.84 MTNR1A (0.48) MTNR1AACEPOLBL3MBTL1
SCHEMBL2288109 0.80 TSHR (0.63) POLBTSHR
SCHEMBL20462833 0.80 TSHR (0.62) ACEPOLBL3MBTL1TSHRPDK1
SCHEMBL28345381 0.78 ACE (0.47) ACETSHRPDK1PDK2PDK3
SCHEMBL28068692 0.78 ACE (0.47) ACETSHRPDK1PDK2PDK3
SCHEMBL29278844 0.77 NOTUM (0.49)
SCHEMBL7005115 0.77 ACE (0.41) MTNR1AACETSHRPDK1PDK2
SCHEMBL22298024 0.76 MTNR1A (0.61) MTNR1APOLBL3MBTL1

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
US-6099625-A Ink composition ZENECA LIMITED (GB) 2000-08-08 US disclosed
EP-0823927-A2 INK COMPOSITION ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996034916-A2 INK COMPOSITION ZENECA LIMITED (GB) 1996-11-07 WO disclosed