SCHEMBL7478780

SCHEMBL7478780

CCc1cc(OC(C(=O)OC(C)(C)C)N2CCC2)cnc1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
JAK3 P52333 1/20 0.30
BTK Q06187 1/20 0.30
MEN1 O00255 1/20 0.30
GPR119 Q8TDV5 2/20 0.30

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
SCHEMBL7416015 0.87 KMT2A (0.34) HRH3POLBKMT2ALMNAMEN1
SCHEMBL7411562 0.86 KMT2A (0.35) HRH3KMT2ALMNA
SCHEMBL7411225 0.86 KMT2A (0.35) HRH3KMT2ALMNA
SCHEMBL8506871 0.83 ALDH1A1 (0.37) KMT2ALMNA
SCHEMBL8506868 0.83 ALDH1A1 (0.37) KMT2ALMNA
SCHEMBL7478135 0.83 SCN9A (0.33) HRH3
SCHEMBL7479313 0.82 HRH3 (0.31) HRH3
SCHEMBL7412567 0.81 HRH3 (0.36) HRH3KMT2ALMNAMEN1GPR119
SCHEMBL7411612 0.80 CHRNB2 (0.41) GPR119
SCHEMBL7413845 0.80 KMT2A (0.40) HRH3KMT2ALMNAMEN1

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