SCHEMBL9024314

SCHEMBL9024314

CC(C)COCCN(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
ATM Q13315 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ACHE P22303 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
SCHEMBL11873738 0.83 CARM1 (0.46) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL616042 0.81 TSHR (0.62) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL27376496 0.80 TSHR (0.51) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL19715501 0.79 TSHR (0.61) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL17398952 0.78 TSHR (0.68) TSHRCARM1PRMT6PRMT8SMN1; SMN2
Hydrochloric Acid SCHEMBL19715538 0.78 TSHR (0.59) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL17193571 0.78 TSHR (0.59) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL9302526 0.78 CARM1 (0.68) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL9760037 0.78 TSHR (0.56) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL615516 0.77 TSHR (0.65) TSHRCARM1PRMT6PRMT8SMN1; 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
EP-0491243-B1 Alkylaminoalkylamino and -ether compounds as well as processes and intermediates for their preparation, and medicaments containing these compounds KALI CHEMIE PHARMA GMBH (DE) 1996-05-15 EP disclosed
US-5212173-A Gastrointestinal KALI-CHEMIE PHARMA GMBH (DE) 1993-05-18 US disclosed
EP-0491243-A1 Alkylaminoalkylamino and -ether compounds as well as processes and intermediates for their preparation, and medicaments containing these compounds Kali-Chemie Pharma GmbH (DE) 1992-06-24 EP disclosed