SCHEMBL7262192

SCHEMBL7262192

CNC1(c2cccc(F)c2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
SLC6A2 P23975 1/20 0.50
HDAC6 Q9UBN7 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
OPRM1 P35372 4/20 0.44
OPRL1 P41146 4/20 0.44
KDM1A O60341 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL16410910 0.98 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
SCHEMBL3224276 0.93 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
Hydrochloric Acid SCHEMBL28693211 0.91 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
SCHEMBL3705030 0.84 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
Hydrochloric Acid SCHEMBL28684377 0.83 HDAC6 (0.50) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
SCHEMBL27734530 0.78 SLC6A3 (0.62) SLC6A4SLC6A3SLC6A2
SCHEMBL7262204 0.77 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
SCHEMBL24462855 0.77 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
SCHEMBL27734510 0.77 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
SCHEMBL294583 0.77 OPRM1 (0.63) SLC6A4OPRM1OPRL1OPRK1

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-2007020502-A2 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PHARMACIA & UPJOHN COMPANY LLC (US) 2007-02-22 WO disclosed
WO-2003006363-A2 A PROCESS FOR PREPARING ZEOLITES CHEVRON U.S.A. INC. (US) 2003-01-23 WO disclosed