SCHEMBL7768607

SCHEMBL7768607

COC(=O)Nc1ccc(C(CCN(Cc2ccccc2)C(Oc2ccccc2)C(C)O)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
NR3C1 P04150 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
CASR P41180 2/20 0.41
UTS2R Q9UKP6 1/20 0.39
HTT P42858 2/20 0.38
NPY5R Q15761 2/20 0.38
BCHE P06276 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 2/20 0.37
PLIN1 O60240 1/20 0.37
GSTO1 P78417 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
SCHEMBL7610293 0.90 RAB9A (0.46) SMN1; SMN2RAB9ANPC1NR3C1HPGD
SCHEMBL7607642 0.86 NPC1 (0.47) SMN1; SMN2RAB9ANPC1NR3C1HPGD
SCHEMBL7769464 0.86 CASR (0.46) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL7764640 0.84 LPAR1 (0.41) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL7764648 0.84 KMT2A (0.47) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL7610980 0.83 MEN1 (0.44) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL7611484 0.82 ALDH1A1 (0.38) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL7024089 0.79 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1NR3C1HPGD
SCHEMBL7612363 0.77 NPC1 (0.48) SMN1; SMN2RAB9ANPC1NR3C1LMNA
SCHEMBL7688371 0.75 POLB (0.54) SMN1; SMN2RAB9ANPC1NR3C1HPGD

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-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed