SCHEMBL6538698

SCHEMBL6538698

O=C(Nc1ccc(C[C@@H](CO)N(C[C@H](O)COc2ccccc2)C(=O)O)cc1)c1ccc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
ADRB1 P08588 10/20 0.42
ADRB3 P13945 10/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ADRB2 P07550 2/20 0.40
NFATC1 O95644 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
SCHEMBL6540017 0.85 ADRB1 (0.40) RAB9AMAPTADRB1ADRB3ADRB2
SCHEMBL6538847 0.84 ADRB1 (0.48) NPC1RAB9AMAPTADRB1ADRB3
SCHEMBL6539620 0.82 ADRB1 (0.46) NPC1RAB9AMAPTADRB1ADRB3
Hydrochloric Acid SCHEMBL6539816 0.82 ADRB3 (0.63) NPC1RAB9AMAPTADRB1ADRB3
SCHEMBL6538597 0.79 NR1H4 (0.48) NPC1RAB9AADRB1ADRB3ADRB2
SCHEMBL6539710 0.79 ADRB1 (0.53) NPC1RAB9AMAPTADRB1ADRB3
SCHEMBL6539156 0.77 ADRB1 (0.53) MAPTADRB1ADRB3ADRB2
SCHEMBL6539459 0.77 NPC1 (0.46) NPC1RAB9AADRB1ADRB3
SCHEMBL6539510 0.77 ADRB1 (0.59) MAPTADRB1ADRB3ADRB2
SCHEMBL6538911 0.77 ADRB3 (0.56) NPC1RAB9AMAPTADRB1ADRB3

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