SCHEMBL5498745

SCHEMBL5498745

CC(C)CONCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALOX12 P18054 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HRAS P01112 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
IDO1 P14902 2/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 2/20 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
SCHEMBL10652741 0.81 L3MBTL1 (0.46) MAPTKMT2AMEN1ALOX12SIGMAR1
SCHEMBL16302331 0.81 CYP1A2 (0.42) MAPTKMT2AMEN1ALOX12L3MBTL1
SCHEMBL6076744 0.81 HPGD (0.47) MAPTKMT2AMEN1KDM4EL3MBTL1
SCHEMBL2178103 0.77 CYP3A4 (0.48) MAPTKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL8131169 0.75 SIGMAR1 (0.48) MAPTKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL10439288 0.74 HRAS (0.41) MAPTKMT2AMEN1ALOX12CYP3A4
SCHEMBL206646 0.74 HRAS (0.65) MAPTKMT2AMEN1CYP3A4KDM4E
Dimethylamine SCHEMBL28814481 0.73 CYP3A4 (0.50) MAPTKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL5179520 0.73 CYP3A4 (0.45) MAPTKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL5506614 0.73 KDM4E (0.45) MAPTKMT2AMEN1SIGMAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107200707-A A kind of Mo Fanselin preparation method 河北科技大学 2017-09-26 CN claimed
CN-111517966-A Method for synthesizing p-isobutoxybenzylamine 杭州益至生物科技有限公司 2020-08-11 CN disclosed
CN-109705848-A One-dimensional organic semiconductor nanowires circle and its preparation method and application 中国科学院化学研究所 2019-05-03 CN disclosed
CN-108250087-A A kind of synthetic method of 4- isobutoxies benzylamine 常州大学 2018-07-06 CN disclosed
CN-104961672-B A kind of synthetic method of the tartrate of N (4 luorobenzyl) N (base of 1 methyl piperidine 4) N ' (4 isobutoxy benzyl) urea 沈阳药科大学 2017-10-20 CN disclosed
EP-1794126-A1 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS Acadia Pharmaceuticals Inc. (US) 2007-06-13 EP disclosed
WO-2006037043-A1 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS ACADIA PHARMACEUTICALS INC. (US) 2006-04-06 WO disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed