SCHEMBL5215923

SCHEMBL5215923

O=S(=O)(CCC[CH]C1CCNCC1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
IKBKB O14920 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
HTR2C P28335 1/20 0.32
TSHR P16473 2/20 0.31
HTR4 Q13639 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5216238 0.88 KDM4E (0.33) LMNATSHRHTR4
SCHEMBL5219348 0.86 KDM4E (0.39) LMNATSHR
SCHEMBL5213847 0.83 ALDH1A1 (0.31) ALDH1A1HTR4
SCHEMBL5212276 0.83 IKBKB (0.32) IKBKBHTR4L3MBTL1
SCHEMBL5215599 0.81 KDM4E (0.34) ALDH1A1CYP1A2HTR4
SCHEMBL5213651 0.80 ALDH1A1 (0.37) ALDH1A1HTR4
SCHEMBL5215519 0.80 HTR4 (0.33) LMNAHTR4
SCHEMBL5216323 0.80 NPC1 (0.32)
SCHEMBL5216607 0.79 GNAO1 (0.36) LMNAALDH1A1SMN1; SMN2CYP1A2HTR4
SCHEMBL5218969 0.79 HTR4 (0.35) LMNAALDH1A1SMN1; SMN2CYP1A2TSHR

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
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed