SCHEMBL13152011

SCHEMBL13152011

CC(C)Cc1ccc(CC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.67
ALDH1A1 P00352 6/20 0.51
POLB P06746 1/20 0.51
HSD11B1 P28845 1/20 0.49
TACR1 P25103 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PPARA Q07869 1/20 0.45
MC4R P32245 2/20 0.45
MC3R P41968 2/20 0.45
MC1R Q01726 2/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL9600780 0.84 TACR3 (0.67) TACR3ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL12794066 0.79 HSD11B1 (0.56) TACR3POLBHSD11B1TACR1HPGD
SCHEMBL5037841 0.78 TACR3 (0.64) TACR3ALDH1A1POLBHSD11B1SMN1; SMN2
SCHEMBL14263092 0.78 TACR3 (0.59) TACR3ALDH1A1HSD11B1L3MBTL1KCNH2
SCHEMBL31324479 0.77 TACR3 (0.62) TACR3ALDH1A1HSD11B1TACR1SMN1; SMN2
SCHEMBL25139677 0.77 ALDH1A1 (0.59) TACR3ALDH1A1POLBHSD11B1SMN1; SMN2
SCHEMBL12384538 0.77 ALDH1A1 (0.59) TACR3ALDH1A1POLBHSD11B1SMN1; SMN2
SCHEMBL5034424 0.76 TACR3 (0.59) TACR3ALDH1A1POLBHSD11B1SMN1; SMN2
SCHEMBL15014630 0.75 ALDH1A1 (0.75) TACR3ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL21138804 0.75 HSD11B1 (0.62) TACR3ALDH1A1HSD11B1TACR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010120889-A1 TREATMENT OF METABOLIC SYNDROME WITH CYCLIC AMIDES AMPLA PHARMACEUTICALS INC. (US) 2010-10-21 WO disclosed