SCHEMBL3379118

SCHEMBL3379118

O=S(=O)(O)C1CCN(Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
GABRA1 P14867 1/20 0.48
TSHR P16473 1/20 0.48
GABRG2 P18507 1/20 0.48
NFKB1 P19838 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRA6 Q16445 1/20 0.48

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
SCHEMBL12239181 0.77 SMO (0.33)
SCHEMBL4620125 0.76 TSHR (0.63) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL5212 0.76
SCHEMBL3381477 0.75 LMNA (0.40) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL3378526 0.74 LMNA (0.48) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL4327940 0.74 LMNA (0.48) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL17159759 0.74
Hydrochloric Acid SCHEMBL443213 0.74
Hydrochloric Acid SCHEMBL27668202 0.72 LMNA (0.46) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL5424 0.71

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed