SCHEMBL3660835

SCHEMBL3660835

O=C(ONC1COCCC1c1ccc(-c2ccccc2)cc1)C1COCCC1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
FFAR1 O14842 1/20 0.37
KDM1A O60341 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SLC6A3 Q01959 2/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.34
GRIA2 P42262 1/20 0.34
LTB4R Q15722 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL3194570 0.84 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL3194560 0.84 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL3194556 0.84 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL3184345 0.80 SLC6A2 (0.48) SLC6A2SLC6A4FFAR1KDM1AHDAC3
SCHEMBL3184354 0.80 SLC6A2 (0.48) SLC6A2SLC6A4FFAR1KDM1AHDAC3
SCHEMBL3184339 0.80 SLC6A2 (0.48) SLC6A2SLC6A4FFAR1KDM1AHDAC3
SCHEMBL3660838 0.73 KDM1A (0.45) SLC6A2SLC6A4FFAR1KDM1AHDAC3
SCHEMBL3660832 0.73 KDM1A (0.45) SLC6A2SLC6A4FFAR1KDM1AHDAC3
SCHEMBL3185232 0.72 RAB9A (0.46) SLC6A2SLC6A4FFAR1KDM1AHDAC3
SCHEMBL3192829 0.72 RAB9A (0.46) SLC6A2SLC6A4FFAR1KDM1AHDAC3

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-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO disclosed