SCHEMBL5137232

SCHEMBL5137232

CCCOc1ccc2c(c1)CN(C(=O)O)CC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.58
ABCB1 P08183 3/20 0.50
KMT2A Q03164 1/20 0.49
F10 P00742 5/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACACB O00763 1/20 0.47
MGLL Q99685 1/20 0.45
ABHD6 Q9BV23 1/20 0.45

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
SCHEMBL25903824 0.90 HRH3 (0.71) HRH3ABCB1KMT2AF10HPGD
SCHEMBL28533346 0.88 HRH3 (0.57) HRH3KMT2AF10HPGDTSHR
SCHEMBL30290475 0.84 HRH3 (0.52) HRH3KMT2AF10ABHD6
SCHEMBL27538580 0.84 HRH3 (0.52) HRH3KMT2AF10HPGDTSHR
SCHEMBL1266229 0.84 NR1H2 (0.63) HRH3ABCB1KMT2AF10MGLL
SCHEMBL28539714 0.83 ESR1 (0.52) HRH3KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL14320109 0.82 HRH3 (0.81) HRH3
SCHEMBL27197550 0.81 HRH3 (0.64) HRH3SMN1; SMN2
SCHEMBL23701210 0.81 HRH3 (0.49) HRH3KMT2AF10ABHD6
SCHEMBL29097886 0.80 HRH3 (0.53) HRH3KMT2A

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-1951674-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2008-08-06 EP disclosed
WO-2007048788-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2007-05-03 WO disclosed