SCHEMBL4664245

SCHEMBL4664245

CC1CCCN1C1CCc2cc(-c3ccccc3C(=O)N(C(C)C)C(C)C)ccc2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
KCNH2 Q12809 1/20 0.34
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
HCRTR1 O43613 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP30 Q70CQ3 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B3 P37058 1/20 0.32
FAAH O00519 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
ASIC3 Q9UHC3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
HCRTR2 O43614 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL4144492 0.87 HSD17B3 (0.42) HRH3KCNH2PDK1PDK2PDK3
SCHEMBL4135770 0.86 FAAH (0.40) HRH3TSHRNPSR1HSD17B3FAAH
SCHEMBL4148543 0.86 FPR2 (0.39) HRH3KCNH2PDK1PDK2PDK3
SCHEMBL4148536 0.86 FPR2 (0.39) HRH3KCNH2PDK1PDK2PDK3
SCHEMBL4139549 0.85 PDK1 (0.38) HRH3PDK1PDK2PDK3PDK4
SCHEMBL4148990 0.81 HRH3 (0.36) HRH3KCNH2HCRTR1FAAHASIC3
SCHEMBL4135556 0.80 CD274 (0.38) HRH3KCNH2TSHRLMNAASIC3
SCHEMBL4127215 0.79 MCHR1 (0.38) HRH3KCNH2HSD17B3ASIC3MCHR1
SCHEMBL4128118 0.79 PDK1 (0.42) HRH3KCNH2PDK1PDK2PDK3
SCHEMBL4127329 0.79 HTR1A (0.42) HRH3KCNH2ASIC3MCHR1

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-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO claimed