SCHEMBL7476578

SCHEMBL7476578

Cc1cc(OC(C(=O)OCc2ccccc2)N2CCC2)cnc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 2/20 0.36
P4HTM Q9NXG6 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GPR183 P32249 1/20 0.35
DPP4 P27487 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CHRNA5 P30532 1/20 0.34
GRM5 P41594 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34

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
SCHEMBL7410510 0.76 TSHR (0.35) P4HTMLMNAL3MBTL1S1PR1S1PR5
SCHEMBL7414435 0.76 TSHR (0.35) P4HTMLMNAL3MBTL1S1PR1S1PR5
SCHEMBL17878844 0.72 PDGFRB (0.50) ALKBH1P4HTMLMNAL3MBTL1GRM5
SCHEMBL27306803 0.68 ALDH1A1 (0.49) LMNAL3MBTL1
SCHEMBL11063207 0.66 ALDH1A1 (0.50) LMNAL3MBTL1
SCHEMBL7414580 0.65 TSHR (0.35) LMNAL3MBTL1
SCHEMBL24534624 0.65 ALDH1A1 (0.49) LMNAL3MBTL1CHRNB2CHRNA4HRH3
SCHEMBL15898019 0.65 ALDH1A1 (0.58) LMNAL3MBTL1
SCHEMBL10946417 0.65 ALDH1A1 (0.49) LMNAL3MBTL1CHRNB2CHRNA4HRH3
SCHEMBL25948326 0.65 ALDH1A1 (0.49) LMNAL3MBTL1CHRNB2CHRNA4HRH3

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
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed