SCHEMBL7438967

SCHEMBL7438967

OCC1[C@@H](c2ccccc2)C1(Br)Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
ABCB1 P08183 5/20 0.40
PTGS2 P35354 1/20 0.37
KDM1A O60341 1/20 0.36
MAPT P10636 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNA4 P22459 1/20 0.32
KCNA1 Q09470 1/20 0.32
KCNAB1 Q14722 1/20 0.32
TSHR P16473 1/20 0.31
SLC9A1 P19634 1/20 0.31
SLC18A3 Q16572 1/20 0.31
EIF4A1 P60842 1/20 0.31
TRPM4 Q8TD43 1/20 0.30
TRPM5 Q9NZQ8 1/20 0.30

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
SCHEMBL7438962 1.00 HTR2A (0.41) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL9381070 0.75 HTR2A (0.66) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL16841701 0.75 ABCB1 (0.43) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL7976048 0.75 HTR2A (0.41) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL15557343 0.75 ABCB1 (0.43) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL7976045 0.75 HTR2A (0.41) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL7976044 0.75 HTR2A (0.41) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL9381065 0.75 HTR2A (0.66) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL9381062 0.75 HTR2A (0.66) HTR2AHTR2CHTR2BABCB1PTGS2
SCHEMBL8845602 0.74 HTR2C (0.41) HTR2AHTR2CHTR2BABCB1KDM1A

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
WO-1992000972-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-01-23 WO disclosed