SCHEMBL5268749

SCHEMBL5268749

O=C(Nc1ccccc1)N1CCN(Cc2cccc(S(=O)(=O)O)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 17/20 0.75
KDM4E B2RXH2 2/20 0.69
MAPT P10636 2/20 0.69
NPC1 O15118 1/20 0.67
TSHR P16473 1/20 0.67
RAB9A P51151 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66

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
SCHEMBL3588135 0.86 FAAH (1.00) FAAHKDM4EMAPTNPC1TSHR
SCHEMBL3595304 0.85 FAAH (1.00) FAAH
SCHEMBL3596348 0.85 FAAH (1.00) FAAHKDM4EMAPTNPC1TSHR
SCHEMBL3598643 0.84 FAAH (1.00) FAAHKDM4EMAPTNPC1TSHR
SCHEMBL3598540 0.84 FAAH (0.78) FAAHKDM4EMAPTNPC1TSHR
SCHEMBL3598088 0.83 FAAH (1.00) FAAHKDM4EMAPTNPC1TSHR
SCHEMBL3604165 0.83 FAAH (1.00) FAAHKDM4EMAPTSMN1; SMN2
SCHEMBL3602524 0.83 FAAH (1.00) FAAHKDM4EMAPT
SCHEMBL3601788 0.81 FAAH (1.00) FAAH
SCHEMBL3593916 0.81 FAAH (1.00) FAAH

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
EP-1836179-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed