SCHEMBL7366845

SCHEMBL7366845

C[CH][C@H](C)CC(=O)NCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 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
SCHEMBL6960913 0.85 SMN1; SMN2 (0.64) TSHRPOLBTDP1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7427148 0.84 SMN1; SMN2 (0.62) TSHRPOLBTDP1SMN1; SMN2MAPT
SCHEMBL20903627 0.81 TSHR (0.55) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL19919908 0.81 TSHR (0.55) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL6709378 0.80 TSHR (0.50) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL15025226 0.79 POLB (0.49) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL739486 0.79 TSHR (0.66) TSHRPOLBTDP1MAPTKMT2A
SCHEMBL1723877 0.78 TSHR (0.51) TSHRPOLBTDP1SMN1; SMN2MAPT
SCHEMBL6712789 0.78 TDP1 (0.53) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL84933 0.77 TSHR (0.59) TSHRPOLBTDP1SMN1; SMN2KMT2A

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
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed