SCHEMBL6538630

SCHEMBL6538630

Cn1cc(C(=O)Nc2ccc(C[C@@H](CO)N(C[C@H](O)COc3ccccc3)C(=O)O)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.43
ADRB3 P13945 10/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2C P28335 1/20 0.40
PTPN7 P35236 1/20 0.38
MAOB P27338 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 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
SCHEMBL6539311 0.83 ADRB1 (0.45) ADRB1ADRB3MAPT
Hydrochloric Acid SCHEMBL7558333 0.82 ADRB3 (0.64) ADRB1ADRB3MAPTLMNAL3MBTL1
SCHEMBL6538847 0.80 ADRB1 (0.48) ADRB1ADRB3MAPTLMNA
SCHEMBL6539601 0.79 RAB9A (0.54) ADRB1ADRB3MAPTPOLB
SCHEMBL6539444 0.79 KMT2A (0.52) ADRB1ADRB3
SCHEMBL6539620 0.78 ADRB1 (0.46) ADRB1ADRB3MAPT
SCHEMBL6539710 0.78 ADRB1 (0.53) ADRB1ADRB3MAPT
SCHEMBL6539459 0.78 NPC1 (0.46) ADRB1ADRB3POLBNPSR1
SCHEMBL6538911 0.78 ADRB3 (0.56) ADRB1ADRB3MAPTPOLB
SCHEMBL6539156 0.76 ADRB1 (0.53) ADRB1ADRB3MAPT

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