SCHEMBL3039364

SCHEMBL3039364

CNC(CCCN=C(N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.58
▸ NOS2 P35228 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ CPN1 P15169 1/20 0.53
▸ CPB2 Q96IY4 1/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CHRM4 P08173 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ SLC6A5 Q9Y345 1/20 0.51
▸ C3AR1 Q16581 9/20 0.50
▸ CA2 P00918 2/20 0.49
▸ NQO1 P15559 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL29388277 1.00 CYP2C19 (0.58) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL29521677 0.84 CHRM2 (0.68) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL16748402 0.84 CHRM2 (0.68) CYP2C19NOS2CYP1A2GLATSHR
Water SCHEMBL30600465 0.83 CHRM2 (0.66) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL25260960 0.81 CYP2C19 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL30151413 0.81 CYP2C19 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL25336897 0.81 CYP2C19 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL1736049 0.81 CYP2C19 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL29436143 0.80 SLC6A5 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL31110360 0.78 C3AR1 (0.60) CYP2C19NOS2CYP1A2GLATSHR

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
EP-2518080-B1 Antibiotic peptides AMP THERAPEUTICS GMBH (DE) 2016-05-18 — — EP disclosed
US-20150315241-A1 Antibiotic Peptides AMP-THERAPEUTICS GMBH (DE) 2015-11-05 — — US disclosed
US-9060513-B2 Antibiotic peptides AMP-THERAPEUTICS GMBH (DE) 2015-06-23 — — US disclosed
EP-2170928-B1 ANTIBIOTIC PEPTIDES AMP THERAPEUTICS GMBH (DE) 2013-07-03 — — EP disclosed
EP-2518080-A2 Antibiotic peptides AMP-Therapeutics GmbH & Co. KG (DE) 2012-10-31 — — EP disclosed
US-20100222268-A1 ANTIBIOTIC PEPTIDES AMP-THERAPEUTICS GMBH & CO. KG 2010-09-02 — — US disclosed
EP-2170928-A1 ANTIBIOTIC PEPTIDES AMP-Therapeutics GmbH & Co. KG (DE) 2010-04-07 — — EP disclosed
WO-2009013262-A1 ANTIBIOTIC PEPTIDES UNIVERSITÄT LEIPZIG (DE) 2009-01-29 — — WO disclosed
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