SCHEMBL6538657

SCHEMBL6538657

CCCNC(=O)c1cccc(NC(=O)Nc2ccc(C[C@@H](CO)N(C[C@H](O)COc3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 15/20 0.55
ADRB3 P13945 15/20 0.55
NPC1 O15118 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
ADRB2 P07550 2/20 0.43
MITF O75030 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAF1 P04049 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6539510 0.93 ADRB1 (0.59) ADRB1ADRB3ADRB2
SCHEMBL6539299 0.88 ADRB3 (0.57) ADRB1ADRB3NPC1MEN1RAB9A
SCHEMBL6538564 0.84 ADRB3 (0.55) ADRB1ADRB3NPC1MEN1RAB9A
SCHEMBL6539710 0.83 ADRB1 (0.53) ADRB1ADRB3NPC1MEN1RAB9A
SCHEMBL6540414 0.82 ADRB1 (0.53) ADRB1ADRB3NPC1MEN1RAB9A
SCHEMBL6539156 0.82 ADRB1 (0.53) ADRB1ADRB3ADRB2
SCHEMBL6538911 0.81 ADRB3 (0.56) ADRB1ADRB3NPC1MEN1RAB9A
SCHEMBL6539352 0.81 ADRB1 (0.62) ADRB1ADRB3NPC1MEN1RAB9A
Trifluoroacetic Acid SCHEMBL6539771 0.81 ADRB3 (0.73) ADRB1ADRB3NPC1MEN1RAB9A
SCHEMBL6539792 0.79 ADRB1 (0.53) ADRB1ADRB3NPC1MEN1RAB9A

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