SCHEMBL3245038

SCHEMBL3245038

CN(C)c1ccc2c(c1)CCNC2CCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 6/20 0.38
KDM4C Q9H3R0 6/20 0.38
GAA P10253 3/20 0.37
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.33
ABL1 P00519 1/20 0.33
ALPL P05186 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.82 CA1 (0.49) KDM4COPRM1OPRK1CA1CA2
SCHEMBL3245087 0.82 OPRM1 (0.45) GAAOPRM1OPRK1OPRD1ALDH1A1
SCHEMBL3243959 0.79 CA1 (0.48) KDM4COPRM1OPRK1CA1CA2
SCHEMBL917364 0.79 ALDH1A1 (0.52) GAAOPRM1OPRK1OPRD1ALDH1A1
SCHEMBL3246830 0.76 BCHE (0.54) KDM4CKMT2A
SCHEMBL918901 0.75 ALDH1A1 (0.51) GAAOPRM1OPRK1OPRD1ALDH1A1
SCHEMBL3253489 0.73 BCHE (0.53) KDM4CKMT2A
SCHEMBL16057499 0.71 GAA (0.47) KDM6BKDM4CGAAALDH1A1KDM4E
SCHEMBL7167293 0.70 ALDH1A1 (0.48) GAAOPRM1OPRK1ALDH1A1KDM4E
SCHEMBL3254053 0.70 OPRM1 (0.43) OPRM1OPRK1

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