SCHEMBL8318112

SCHEMBL8318112

CC1CCC1(CC#N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
MAOB P27338 2/20 0.35

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
SCHEMBL8054983 0.75 DPP4 (0.44) DPP4MAOB
SCHEMBL16244240 0.72 GPBAR1 (0.34) MAOB
SCHEMBL8112548 0.70 OPRL1 (0.36) DPP4
SCHEMBL8319804 0.70 MAOB (0.36) DPP4MAOB
SCHEMBL8317198 0.69 TSHR (0.39) DPP4MAOB
SCHEMBL10751965 0.67 SLC6A4 (0.44)
SCHEMBL8319137 0.66 TSHR (0.53) DPP4MAOB
SCHEMBL8315393 0.66 TSHR (0.57) DPP4MAOB
SCHEMBL2452202 0.66 PNMT (0.50) DPP4MAOB
SCHEMBL8107080 0.66 MAOA (0.46) DPP4MAOB

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-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed