SCHEMBL6499990

SCHEMBL6499990

O=C(O)C1CCN(c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.58
NOTUM Q6P988 9/20 0.56
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SERPINE1 P05121 4/20 0.47
IDH2 P48735 1/20 0.45
PDK2 Q15119 1/20 0.44

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
SCHEMBL6498968 0.91 NOTUM (0.62) FFAR4NOTUMPOLBCYP2C9CYP2C19
SCHEMBL5801907 0.86 NOTUM (0.57) FFAR4NOTUMCYP2C19PDK2
SCHEMBL6501545 0.81 LGMN (0.52) FFAR4POLBPDK2
SCHEMBL30173256 0.80 NOTUM (0.85) NOTUMPOLBSERPINE1IDH2
SCHEMBL4334462 0.80 NOTUM (0.85) NOTUMPOLBSERPINE1IDH2
SCHEMBL5376583 0.79 FFAR4 (0.54) FFAR4POLB
SCHEMBL2071701 0.79 NOTUM (0.83) FFAR4NOTUMPOLBCYP2C9CYP2C19
SCHEMBL2935259 0.78 NOTUM (0.68) NOTUMPOLBCYP2C9CYP2C19
SCHEMBL1410379 0.77 FFAR4 (0.48) FFAR4NOTUMIDH2
SCHEMBL28647219 0.75 FFAR4 (0.50) FFAR4POLBCYP2C9CYP2C19

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
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed