SCHEMBL3245087

SCHEMBL3245087

O=S(=O)(O)CCCC1NCCc2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
OPRK1 P41145 3/20 0.45
OPRD1 P41143 2/20 0.45
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM1A O60341 2/20 0.39
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL3245093 0.83 CA1 (0.49) OPRM1OPRK1HTR2CKDM1AGRIN2D
SCHEMBL3245038 0.82 KDM6B (0.38) OPRM1OPRK1OPRD1ALDH1A1CA1
SCHEMBL917364 0.82 ALDH1A1 (0.52) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL3243959 0.80 CA1 (0.48) OPRM1OPRK1HTR2CKDM1AGRIN2D
SCHEMBL16203018 0.80 OPRM1 (0.46) OPRM1OPRK1OPRD1HTR2AHTR2C
SCHEMBL918901 0.78 ALDH1A1 (0.51) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL3246830 0.77 BCHE (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16203008 0.75 OPRM1 (0.41) OPRM1OPRK1OPRD1HTR2AHTR2C
SCHEMBL15071424 0.75 ALDH1A1 (0.52) OPRM1OPRK1OPRD1HTR2AHTR2C
Hydrochloric Acid SCHEMBL11618546 0.74 HTR2A (0.39) OPRM1OPRK1OPRD1HTR2AHTR2C

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
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed