SCHEMBL7033156

SCHEMBL7033156

CCC(N)c1c(-c2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ GNRHR P30968 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C2 P52895 2/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ENPP1 P22413 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PDCD1 Q15116 3/20 0.33
▸ CD274 Q9NZQ7 3/20 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
SCHEMBL12261511 0.73 MC4R (0.42) HSD11B1CNR2POLBMAPK1
SCHEMBL1729214 0.73 MC4R (0.42) HSD11B1CNR2POLBMAPK1
SCHEMBL1728842 0.73 MC4R (0.42) HSD11B1CNR2POLBMAPK1
Ethyne SCHEMBL27849625 0.72 HSD11B1 (0.53) HSD11B1PPARGPPARACNR2DPP4
SCHEMBL163729 0.70 HSD11B1 (0.55) HSD11B1PPARGPPARACNR2DPP4
SCHEMBL29019503 0.70 HSD11B1 (0.44) HSD11B1DPP4ENPP1FFAR4SCN9A
SCHEMBL10449366 0.70 DPP4 (0.41) PPARGPPARADPP4MAPK1PDCD1
SCHEMBL3790614 0.70 ALDH1A1 (0.45) HSD11B1DPP4ACHEENPP1FFAR4
SCHEMBL28053727 0.69 FFAR4 (0.54) HSD11B1PPARGPPARACNR2DPP4
SCHEMBL12261869 0.69 SMN1; SMN2 (0.47) HSD11B1POLB

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-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 — — US disclosed
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