SCHEMBL3942371

SCHEMBL3942371

CC(C)c1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cc1.N#Cc1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
LIPE Q05469 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38
NOTUM Q6P988 1/20 0.38
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GRM7 Q14831 1/20 0.36
UCHL1 P09936 1/20 0.36

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
SCHEMBL3942367 1.00 HSD11B1 (0.40) HSD11B1LIPEKMT2AMEN1ALDH1A1
SCHEMBL2071794 0.93 HSD11B1 (0.45) HSD11B1KMT2AMEN1ALDH1A1TSHR
SCHEMBL2071793 0.93 HSD11B1 (0.45) HSD11B1KMT2AMEN1ALDH1A1TSHR
SCHEMBL2069941 0.93 HSD11B1 (0.45) HSD11B1LIPEKMT2AMEN1ALDH1A1
SCHEMBL2069944 0.93 HSD11B1 (0.45) HSD11B1LIPEKMT2AMEN1ALDH1A1
SCHEMBL2070472 0.84 USP30 (0.43) HSD11B1KMT2AMEN1ALDH1A1TSHR
SCHEMBL2070475 0.84 USP30 (0.43) HSD11B1KMT2AMEN1ALDH1A1TSHR
SCHEMBL2073318 0.83 PDE4B (0.48) HSD11B1KMT2AMEN1ALDH1A1TSHR
SCHEMBL2073320 0.83 PDE4B (0.48) HSD11B1KMT2AMEN1ALDH1A1TSHR
SCHEMBL2071649 0.83 AVPR2 (0.47) HSD11B1TSHRNOTUMPOLBSMN1; SMN2

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-2046791-A2 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi-Aventis (FR) 2009-04-15 EP disclosed
WO-2008000951-A2 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed