SCHEMBL7454401

SCHEMBL7454401

CC(C)N(C(C)C)C(C)CC#N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9461911 0.74
SCHEMBL27895194 0.74 TSHR (0.48) TSHRCYP1A2MAPK1
SCHEMBL7743643 0.74 TSHR (0.32) TSHRCYP1A2MAPK1
SCHEMBL27294287 0.74 TSHR (0.32) TSHRCYP1A2MAPK1
SCHEMBL8191870 0.74 TSHR (0.32) TSHRCYP1A2MAPK1
SCHEMBL21984774 0.72 TSHR (0.41) TSHRCYP1A2MAPK1
SCHEMBL8883207 0.72 TSHR (0.31) TSHRCYP1A2MAPK1
SCHEMBL153525 0.70 TSHR (0.30) TSHR
SCHEMBL11668780 0.70 TSHR (0.33) TSHRCYP1A2MAPK1
SCHEMBL149548 0.69 TSHR (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107216256-B A kind of synthetic method of N, N- diisopropyl ethylenediamine 舞阳威森生物医药有限公司 2019-06-21 CN claimed
CN-107216256-A A kind of synthetic method of N, N diisopropyl ethylenediamine 江苏斯威森生物医药工程研究中心有限公司 2017-09-29 CN claimed
CN-107216256-B A kind of synthetic method of N, N- diisopropyl ethylenediamine 舞阳威森生物医药有限公司 2019-06-21 CN disclosed
CN-107216256-A A kind of synthetic method of N, N diisopropyl ethylenediamine 江苏斯威森生物医药工程研究中心有限公司 2017-09-29 CN disclosed
US-6204384-B1 THROMBIN INHIBITOR; ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2001-03-20 US disclosed
US-6011047-A Substituted 3-amino-2-hydroxyphenylacetamide derivatives as enzyme inhibitors CORVAS INTERNATIONAL INC. (US) 2000-01-04 US disclosed
WO-1999026920-A1 SUBSTITUTED 3-AMINO-2-HYDROXYPHENYLACETAMIDE DERIVATIVES AS ENZYME INHIBITORS (II) CORVAS INTERNATIONAL, INC. (US) 1999-06-03 WO disclosed