SCHEMBL6529321

SCHEMBL6529321

CC(C)(C)c1cc(Br)ccc1OCc1ccccc1.CC(C)(C)c1cc(C#N)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
MAOB P27338 1/20 0.47
CCR5 P51681 6/20 0.46
SLC6A4 P31645 2/20 0.46
LMNA P02545 1/20 0.46
SGMS2 Q8NHU3 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL5372934 0.92 MRGPRX4 (0.55) MRGPRX4PTGDR2MAOBSGMS2ALDH1A1
SCHEMBL5367447 0.88 PTGDR2 (0.60) PTGDR2MAOBCCR5SLC6A4LMNA
SCHEMBL6530691 0.84 PTGDR2 (0.56) PTGDR2MAOBCCR5SLC6A4LMNA
SCHEMBL7115963 0.79 MRGPRX4 (0.50) MRGPRX4MAOBCCR5SGMS2ALDH1A1
SCHEMBL7123539 0.79 MRGPRX4 (0.58) MRGPRX4PTGDR2MAOBSGMS2RXRA
Hydrochloric Acid SCHEMBL7528063 0.78 MRGPRX4 (0.57) MRGPRX4PTGDR2MAOBSGMS2RXRA
SCHEMBL15912886 0.77 ALOX5AP (0.54) MRGPRX4PTGDR2MAOBCCR5SLC6A4
SCHEMBL1980141 0.77 MAOB (0.58) MRGPRX4MAOBCCR5SLC6A4ALDH1A1
SCHEMBL7116783 0.77 MRGPRX4 (0.56) MRGPRX4PTGDR2MAOBSGMS2RXRA
SCHEMBL3726426 0.74 PTGER1 (0.54) MRGPRX4MAOBCCR5SLC6A4LMNA

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-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 WO disclosed