SCHEMBL7829302

SCHEMBL7829302

C=Cc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1C=C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.44
FEN1 P39748 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
F2RL3 Q96RI0 2/20 0.40
CHEK2 O96017 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNA2 Q15822 1/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8156093 0.90 ALOX5AP (0.44) ALOX5APFEN1GPR119F2RL3CHEK2
SCHEMBL6585343 0.89 ALOX5AP (0.43) ALOX5APFEN1GPR119F2RL3CHEK2
SCHEMBL7675594 0.89 ALOX5AP (0.43) ALOX5APFEN1GPR119F2RL3CHEK2
Hydrochloric Acid SCHEMBL6587211 0.89 ALOX5AP (0.43) ALOX5APFEN1GPR119F2RL3CHEK2
SCHEMBL6583182 0.85 ALOX5AP (0.41) ALOX5APFEN1GPR119F2RL3CHRNA3
SCHEMBL6585264 0.85 ALOX5AP (0.42) ALOX5APFEN1GPR119F2RL3CHRNB2
SCHEMBL7477731 0.85 ALOX5AP (0.42) ALOX5APFEN1GPR119F2RL3CHRNB2
SCHEMBL6585553 0.85 GPR119 (0.41) ALOX5APFEN1GPR119F2RL3
SCHEMBL6583129 0.84 GPR119 (0.38) ALOX5APFEN1GPR119F2RL3CHRNB2
SCHEMBL6588750 0.83 ALOX5AP (0.38) ALOX5APFEN1GPR119CHRNA3CHRNB4

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-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP disclosed