SCHEMBL7093690

SCHEMBL7093690

O=C(O)c1ccccc1N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.56
OPRM1 P35372 4/20 0.56
OPRK1 P41145 4/20 0.56
OPRD1 P41143 2/20 0.46
POLB P06746 1/20 0.45
DRD2 P14416 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MYC P01106 2/20 0.42
NR4A1 P22736 1/20 0.42
ENPP2 Q13822 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL29370948 0.82 ALDH1A1 (0.48) POLBNPC1ALDH1A1ALOX15MYC
SCHEMBL8048603 0.81 ALDH1A1 (0.61) POLBNPC1ALDH1A1ALOX15MYC
SCHEMBL23611750 0.81 ALDH1A1 (0.47) POLBNPC1ALDH1A1ALOX15MYC
SCHEMBL8097591 0.78 OPRL1 (0.58) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL29467270 0.78 NPC1 (0.68) POLBNPC1ALDH1A1ALOX15MYC
SCHEMBL2492855 0.78 NPC1 (0.68) POLBNPC1ALDH1A1ALOX15MYC
SCHEMBL1715918 0.76 NPC1 (0.71) POLBNPC1ALDH1A1ALOX15MYC
SCHEMBL227731 0.76 NPC1 (0.71) POLBNPC1ALDH1A1ALOX15MYC
SCHEMBL2952285 0.75 KDM4E (0.51) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL3808106 0.75 ALDH1A1 (0.70) POLBNPC1ALDH1A1ALOX15MYC

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-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed