SCHEMBL2170905

SCHEMBL2170905

NC(=O)C1CCCN1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.62
SCN9A Q15858 6/20 0.48
FPR2 P25090 5/20 0.48
F10 P00742 1/20 0.46
BACE1 P56817 1/20 0.44
MAT2A P31153 2/20 0.44
CNR2 P34972 2/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
CNR1 P21554 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL15665092 0.92 CNR2 (0.49) FFAR1SCN9AFPR2BACE1MAT2A
SCHEMBL13284534 0.92 CNR2 (0.49) FFAR1SCN9AFPR2BACE1MAT2A
SCHEMBL2172455 0.86 SCN9A (0.60) FFAR1SCN9AFPR2F10
Hydrochloric Acid SCHEMBL2169819 0.85 SCN9A (0.59) FFAR1SCN9AFPR2F10
SCHEMBL3061734 0.82 F10 (0.58) FFAR1F10BACE1CYP2C9CYP2C19
SCHEMBL15665295 0.82 F10 (0.58) FFAR1F10BACE1CYP2C9CYP2C19
SCHEMBL9104214 0.78 FFAR1 (0.53) FFAR1BACE1CNR2CYP2C8CYP2C9
SCHEMBL1274844 0.78 FFAR1 (0.53) FFAR1BACE1CNR2CYP2C8CYP2C9
SCHEMBL13723813 0.78 SYK (0.46) F10MAT2A
SCHEMBL17294200 0.78 SYK (0.46) F10MAT2A

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
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed