SCHEMBL2060714

SCHEMBL2060714

O=C(O)C1CCN(CCCCC(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
LTA4H P09960 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ARG1 P05089 2/20 0.36
ARG2 P78540 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3326983 0.88 LTA4H (0.40) HRH3HTR2ALTA4HL3MBTL1SMN1; SMN2
SCHEMBL7133334 0.80 SMN1; SMN2 (0.51) HRH3KDM4ECYP2D6HTR2ALTA4H
SCHEMBL2060737 0.79 KCNH2 (0.51) HRH3KCNH2KDM4ELTA4HSMN1; SMN2
SCHEMBL19514340 0.78 LTA4H (0.47) HRH3KDM4EHTR2ALTA4HL3MBTL1
SCHEMBL396677 0.77 KCNH2 (0.61) KCNH2SMN1; SMN2
SCHEMBL14012818 0.77 HRH3 (0.46) HRH3KCNH2KDM4ECYP1A2CYP3A4
SCHEMBL3212052 0.77 LMNA (0.41) KDM4EL3MBTL1SMN1; SMN2LMNA
SCHEMBL9493891 0.76 KCNH2 (0.64) KCNH2
SCHEMBL9492760 0.76 KCNH2 (0.64) KCNH2
SCHEMBL6216002 0.76 KCNH2 (0.64) KCNH2

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
US-8148422-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-03 US disclosed