SCHEMBL2586918

SCHEMBL2586918

O=C(NC1CCN(Cc2ccc3ccccc3c2)C1)c1noc2c1CN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.51
MCHR1 Q99705 11/20 0.49
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL2581672 0.87 DRD4 (0.53) SIGMAR1
SCHEMBL2583662 0.84 BCHE (0.47)
SCHEMBL2585658 0.81 CCR2 (0.46) CCR3MCHR1
SCHEMBL2585643 0.78 MEN1 (0.43)
SCHEMBL2564778 0.73 MCHR1 (0.87) CCR3MCHR1SIGMAR1
SCHEMBL2585594 0.73 ALDH1A1 (0.49)
SCHEMBL2582036 0.72 GAA (0.52)
SCHEMBL4264547 0.72 KMT2A (0.48)
SCHEMBL2585373 0.70 ALDH1A1 (0.54)
SCHEMBL2586727 0.70 ALDH1A1 (0.43)

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
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed