SCHEMBL6539481

SCHEMBL6539481

O=C(Nc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccc(OCc3ccccc3)c(CO)c2)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB1 P08588 6/20 0.43
ADRB3 P13945 6/20 0.43
ADRB2 P07550 4/20 0.43
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MTNR1B P49286 1/20 0.39
CYP19A1 P11511 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL7042715 0.87 OPRD1 (0.40) MEN1KMT2AMAPT
SCHEMBL6538563 0.86 ADRB1 (0.54) RAB9ANPC1SMN1; SMN2ADRB1ADRB3
SCHEMBL6538732 0.83 ADRB1 (0.50) RAB9ANPC1SMN1; SMN2ADRB1ADRB3
SCHEMBL6539381 0.81 ADRB1 (0.54) RAB9ANPC1ADRB1ADRB3ADRB2
SCHEMBL6540060 0.81 ADRB1 (0.48) RAB9ANPC1ADRB1ADRB3ADRB2
SCHEMBL6538663 0.81 ADRB1 (0.48) RAB9ANPC1SMN1; SMN2ADRB1ADRB3
SCHEMBL6539431 0.80 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ADRB1ADRB3
SCHEMBL6539512 0.80 ADRB1 (0.52) RAB9ANPC1SMN1; SMN2ADRB1ADRB3
SCHEMBL6539030 0.80 KDM4E (0.47) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL6538597 0.80 NR1H4 (0.48) RAB9ANPC1ADRB1ADRB3ADRB2

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
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