SCHEMBL6502769

SCHEMBL6502769

O=C(O)C1CCN(c2cccc(Oc3ccc(F)cc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.59
NOTUM Q6P988 8/20 0.56
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PARP14 Q460N5 2/20 0.49
PARP10 Q53GL7 2/20 0.49
PARP1 P09874 1/20 0.49
KDM2B Q8NHM5 1/20 0.47
FAAH O00519 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL6503652 0.83 CCR8 (0.59) ALDH1A1SMN1; SMN2PARP10
SCHEMBL5799166 0.82 NOTUM (0.58) NOTUM
SCHEMBL6499932 0.82 CYP4F2 (0.61) NOTUM
SCHEMBL15578214 0.82 HTR1A (0.58) SCN9ANOTUMALDH1A1SMN1; SMN2FFAR4
SCHEMBL6506047 0.80 NOTUM (0.57) SCN9ANOTUMFFAR4PPARA
SCHEMBL18101830 0.80 NOTUM (0.72) NOTUM
SCHEMBL9161592 0.80 ALOX5 (0.62) SCN9AALDH1A1LMNAPARP14PARP10
SCHEMBL5798727 0.80 NOTUM (0.59) NOTUMSMN1; SMN2FFAR4
SCHEMBL6498392 0.79 NOTUM (0.85) NOTUMFFAR4
SCHEMBL1749207 0.79 NOTUM (0.81) SCN9ANOTUMALDH1A1LMNASMN1; SMN2

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