SCHEMBL3842811

SCHEMBL3842811

NC(=O)C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
HSD11B1 P28845 7/20 0.51
SLC6A3 Q01959 1/20 0.49
HDAC1 Q13547 1/20 0.48
ALDH1A1 P00352 1/20 0.46
AKR1C1 Q04828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
P2RX7 Q99572 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL42559 0.98 LMNA (0.53) LMNAHSD11B1SLC6A3HDAC1ALDH1A1
SCHEMBL10002400 0.94 LMNA (0.49) LMNAHSD11B1SLC6A3HDAC1ALDH1A1
SCHEMBL379020 0.90 HSD11B1 (0.49) LMNAHSD11B1HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL5794598 0.89 HSD11B1 (0.48) LMNAHSD11B1HDAC1ALDH1A1
SCHEMBL22027131 0.83 LMNA (0.57) LMNAHSD11B1ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL1807150 0.83 AKR1C1 (0.66) LMNAHSD11B1SLC6A3HDAC1ALDH1A1
SCHEMBL29057707 0.83 LMNA (0.57) LMNAHSD11B1ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL2701756 0.82 ALOX5 (0.49) LMNAHSD11B1HDAC1ALDH1A1
SCHEMBL29604970 0.81 LMNA (0.55) LMNAHSD11B1HDAC1ALDH1A1AKR1C1
SCHEMBL4992446 0.81 LMNA (0.59) LMNAHSD11B1ALDH1A1AKR1C1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213255-A Synthetic method of six-membered ring benzylamine compound 上海泰坦科技股份有限公司 2022-03-22 CN disclosed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed