SCHEMBL4582899

SCHEMBL4582899

COc1ccccc1C(O)CN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.62
ADRA1A P35348 1/20 0.62
NFKB1 P19838 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AGTR1 P30556 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7153423 1.00 ADRA2A (0.62) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL30317544 1.00 ADRA2A (0.62) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL28986023 0.88 ADRA2A (0.50) ADRA2AADRA1ACA1CA2CA12
SCHEMBL29112412 0.85 ADRA2A (0.56) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL7145781 0.85 ADRA2A (0.56) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL7153411 0.85 ADRA2A (0.56) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL7149112 0.84 ALDH1A1 (0.52) ADRA2AADRA1ANPSR1L3MBTL1IDO1
SCHEMBL30988788 0.83 CYP1A2 (0.55) ADRA2AADRA1ACA1CA2CA12
SCHEMBL3929054 0.83 LMNA (0.48) ADRA2AADRA1ACA1CA2CA12
SCHEMBL21816513 0.83 CYP1A2 (0.55) ADRA2AADRA1ACA1CA2CA12

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960032-A Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof 复旦大学 2023-04-14 CN disclosed
EP-2435019-B1 DODECA-2E,4E-DIENE AMIDES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2015-09-23 EP disclosed
CN-101652363-B Thiazolyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-04-17 CN disclosed
WO-2011105572-A1 NOVEL HETEROARYL DERIVATIVE 持田製薬株式会社 (JP) 2011-09-01 WO disclosed
CN-101652363-A Thiazolyl compounds as kinase inhibitor SQUIBB BRISTOL MYERS CO US 2010-02-17 CN disclosed
CN-100467598-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2009-03-11 CN disclosed
CN-100467597-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2009-03-11 CN disclosed
CN-101285061-A Fungal cell wall synthetic genes EISAI R&D MAN CO LTD (JP) 2008-10-15 CN disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
CN-101117335-A Morpholine derivatives for use as dopamine agonists in the treatment of i.a. sexual dysfunction PFIZER (US) 2008-02-06 CN disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
CN-1873003-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 CN disclosed
CN-1873002-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 CN disclosed
CN-1249227-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2006-04-05 CN disclosed
CN-1449443-A Fungal cell wall synthetic genes EISAI CO LTD (JP) 2003-10-15 CN disclosed
WO-2001009125-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed
CN-1073428-A Aromatic amino alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic use SANKYO CO (JP) 1993-06-23 CN disclosed
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed
EP-0030030-A1 Derivatives of 2-aminoethanol, processes for their preparation, pharmaceutical compositions containing such compounds and the use the latter CIBA-GEIGY AG (CH) 1981-06-10 EP disclosed