SCHEMBL6539634

SCHEMBL6539634

CC1(C)OC[C@H](Cc2ccc(N)cc2)N1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 6/20 0.35
EPHX1 P07099 1/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCB1 P08183 1/20 0.34
PPARG P37231 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPID Q08752 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GSK3B P49841 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
SCHEMBL6539645 1.00 MAPT (0.38) MAPTALDH1A1HSD17B10CYP3A4EPHX1
SCHEMBL6541442 0.88 CAPN1 (0.38) MAPTALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL6541438 0.88 CAPN1 (0.38) MAPTALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL17103824 0.87 PPARA (0.34) EPHX1PPARGPPID
SCHEMBL17103825 0.87 PPARA (0.34) EPHX1PPARGPPID
SCHEMBL6539545 0.83 CACNA1G (0.43) MAPTALDH1A1HSD17B10CYP3A4EPHX1
SCHEMBL6539531 0.83 CACNA1G (0.43) MAPTALDH1A1HSD17B10CYP3A4EPHX1
SCHEMBL6541230 0.82 ALDH1A1 (0.39) MAPTALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL6541124 0.82 NAMPT (0.42) ALDH1A1HSD17B10ABCB1
SCHEMBL6541226 0.82 ALDH1A1 (0.39) MAPTALDH1A1HSD17B10CYP3A4HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6826033-B2 BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US disclosed
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed