SCHEMBL3948083

SCHEMBL3948083

O=[C]C1CCN(C2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 1/20 0.36
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL5068578 0.81 L3MBTL3 (0.39) HTR6L3MBTL3L3MBTL1
SCHEMBL5068015 0.79 L3MBTL3 (0.39) MEN1KMT2AL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3338552 0.76 SLC18A3 (0.38) SLC18A3OPRM1OPRL1POLBHSD17B10
SCHEMBL20096220 0.74 HRH3 (0.44) SLC18A3OPRM1OPRL1POLBHSD17B10
SCHEMBL26170 0.73
SCHEMBL13942560 0.73 PHGDH (0.52) SLC18A3POLBHSD17B10HRH3KCNH2
SCHEMBL19034085 0.73
SCHEMBL24511688 0.71 L3MBTL3 (0.52) SLC18A3OPRM1OPRL1HTR6L3MBTL3
SCHEMBL15321 0.71
SCHEMBL18946139 0.71 L3MBTL3 (0.52) SLC18A3OPRM1OPRL1HTR6L3MBTL3

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-2018387-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007115933-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed