SCHEMBL6539431

SCHEMBL6539431

O=C(Nc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccc(OCc3ccccc3)cc2)cc1)c1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ADRB1 P08588 6/20 0.41
ADRB3 P13945 6/20 0.41
ADRB2 P07550 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
NPY5R Q15761 1/20 0.40
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL6539058 0.95 ADRB1 (0.45) ADRB1ADRB3ADRB2MAPT
SCHEMBL6539620 0.85 ADRB1 (0.46) NPC1RAB9AMEN1KMT2AADRB1
SCHEMBL6538563 0.84 ADRB1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6538732 0.83 ADRB1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6539381 0.82 ADRB1 (0.54) NPC1RAB9AMEN1KMT2AADRB1
SCHEMBL6538833 0.81 ADRB3 (0.61) NPC1RAB9AMEN1KMT2AADRB1
SCHEMBL6538663 0.81 ADRB1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6540060 0.81 ADRB1 (0.48) NPC1RAB9AMEN1KMT2AADRB1
SCHEMBL6539792 0.80 ADRB1 (0.53) NPC1RAB9AMEN1KMT2AADRB1
SCHEMBL6539481 0.80 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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