SCHEMBL8317198

SCHEMBL8317198

CC1CC(CC#N)(c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DPP4 P27487 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 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
SCHEMBL30521575 0.81 CHRNA1 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL8315393 0.76 TSHR (0.57) TSHRHTTMAOAMAOBTAAR1
SCHEMBL8319137 0.76 TSHR (0.53) TSHRHTTHSD11B1MAOAMAOB
SCHEMBL8107080 0.75 MAOA (0.46) TSHRHTTHSD11B1MAOAMAOB
SCHEMBL19966073 0.74 MAOA (0.44) TSHRHTTMAOAMAOBTAAR1
SCHEMBL2857720 0.74 TSHR (0.55) TSHRHTTMAOAMAOBTAAR1
SCHEMBL15577242 0.74 ICMT (0.55) TSHRHTTMAOAMAOBTAAR1
SCHEMBL8110550 0.73 TSHR (0.40) TSHRHTTHSD11B1MAOAMAOB
SCHEMBL16565508 0.72 OPRM1 (0.46) SLC6A4
SCHEMBL8107113 0.72 OPRL1 (0.46)

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