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Sugi Predict / Compounds / SCHEMBL3663546

SCHEMBL3663546

SCHEMBL3663546

CC(C)(C)N1CCN(c2ccc(N3CCN(C(=O)O)c4ccccc43)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.47
▸ HSD11B2 P80365 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ME2 P23368 1/20 0.38
▸ ME1 P48163 1/20 0.38
▸ ME3 Q16798 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL3662110 0.88 HSD11B1 (0.45) HSD11B1HSD11B2MAPTSMN1; SMN2ALDH1A1
SCHEMBL27829893 0.86 HSD11B1 (0.47) HSD11B1MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3663237 0.85 HSD11B1 (0.64) HSD11B1HSD11B2MAPTSMN1; SMN2ALDH1A1
SCHEMBL3661479 0.84 HSD11B1 (0.48) HSD11B1HSD11B2MAPTSMN1; SMN2ALDH1A1
SCHEMBL3664800 0.81 HSD11B1 (0.56) HSD11B1MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL975783 0.81 HSD11B1 (0.59) HSD11B1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL3662166 0.80 ALDH1A1 (0.55) HSD11B1ALDH1A1USP2TSHRHSD17B10
SCHEMBL3660276 0.80 HSD11B1 (0.47) HSD11B1MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3664488 0.80 HSD11B1 (0.46) HSD11B1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL3663624 0.80 KMT2A (0.49) HSD11B1MAPTALDH1A1MAPK1TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 — — EP claimed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 — — US claimed
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 — — CN claimed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 — — EP claimed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 — — WO claimed
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 — — EP disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 — — US disclosed
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 — — CN disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 — — EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 — — WO disclosed