SCHEMBL5283637

SCHEMBL5283637

COCCOCCOCCn1cc(CC2CCCN2C(=O)OC(C)(C)C)c2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 7/20 0.40
▸ APP P05067 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL1750578 1.00 HRH2 (0.40) HRH2APPHTR1AADRA2ADRD2
SCHEMBL12303255 0.91 APP (0.42) HRH2APPHTR1AADRA2ADRD2
SCHEMBL2452131 0.88 APP (0.41) HRH2APPHTR1AADRA2ADRD2
SCHEMBL12167426 0.88 APP (0.41) HRH2APPHTR1AADRA2ADRD2
SCHEMBL12303253 0.86 ALOX5AP (0.38) HRH2APPHTR1AADRA2ADRD2
SCHEMBL2451888 0.86 ALOX5AP (0.38) HRH2APPHTR1AADRA2ADRD2
SCHEMBL12529635 0.85 TNF (0.39) HRH2CNR1CNR2
SCHEMBL1752573 0.85 TNF (0.39) HRH2CNR1CNR2
SCHEMBL12303252 0.83 HRH2 (0.43) HRH2APPHTR1AADRA2ADRD2
SCHEMBL2452127 0.83 HRH2 (0.43) HRH2APPHTR1AADRA2ADRD2

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-1773766-A2 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2007-04-18 — — EP disclosed
WO-2006020060-A2 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2006-02-23 — — WO disclosed
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