SCHEMBL8107080

SCHEMBL8107080

CC1(C)CCC(CC#N)(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
OPRM1 P35372 3/20 0.40
OPRL1 P41146 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD11B1 P28845 1/20 0.40
DPP4 P27487 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ICMT O60725 2/20 0.36
OPRK1 P41145 1/20 0.34

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
SCHEMBL8315393 0.83 TSHR (0.57) MAOAMAOBTAAR1TSHRHTT
SCHEMBL8319137 0.83 TSHR (0.53) MAOAMAOBTAAR1TSHRHTT
SCHEMBL2857720 0.81 TSHR (0.55) MAOAMAOBTAAR1TSHRHTT
SCHEMBL8112623 0.80 TSHR (0.44) MAOAMAOBTAAR1TSHRHTT
SCHEMBL16565508 0.79 OPRM1 (0.46) OPRM1SLC6A4OPRK1
SCHEMBL5147525 0.79 OPRM1 (0.55) MAOAMAOBTAAR1TSHRHTT
SCHEMBL15577188 0.79 ICMT (0.43) MAOAMAOBTAAR1TSHRHTT
SCHEMBL15577243 0.79 TSHR (0.42) MAOAMAOBTAAR1TSHRHTT
SCHEMBL15862683 0.78 MAOA (0.42) MAOAMAOBTAAR1TSHRHTT
SCHEMBL15863346 0.77 MEN1 (0.56) MAOAMAOBTAAR1TSHRHTT

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
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed