SCHEMBL4037787

SCHEMBL4037787

O=C1CCC(N2C(=O)OC3(CCNCC3)c3ccccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
OPRL1 P41146 4/20 0.37
TNKS O95271 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
DRD2 P14416 1/20 0.35
NOTUM Q6P988 2/20 0.33
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
PARP1 P09874 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
Hydrochloric Acid SCHEMBL4042073 0.90 SIGMAR1 (0.39) OPRM1OPRL1TNKSSIGMAR1DRD2
Hydrochloric Acid SCHEMBL4042152 0.88 OPRM1 (0.46) OPRM1OPRL1TNKSSIGMAR1DRD2
SCHEMBL5112591 0.86 OPRM1 (0.38) OPRM1OPRL1TNKSSIGMAR1DRD2
SCHEMBL4035221 0.85 OPRM1 (0.36) OPRM1OPRL1TNKSSIGMAR1DRD2
SCHEMBL7654525 0.75 SIGMAR1 (0.40) OPRM1OPRL1SIGMAR1DRD2ALDH1A1
SCHEMBL7445552 0.74 TNKS (0.43) TNKSNOTUMHTR2CHTR2BHTR2A
SCHEMBL3973155 0.72 SIGMAR1 (0.38) OPRM1OPRL1SIGMAR1DRD2ALDH1A1
SCHEMBL29079061 0.65 MEN1 (0.42) OPRM1OPRL1TNKSNOTUM
SCHEMBL10063517 0.65 OPRL1 (0.41) OPRM1OPRL1TNKSHTR2CHTR2B
SCHEMBL171980 0.65 SIGMAR1 (0.54) TNKSSIGMAR1

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
US-7528200-B2 Epoxy hardener systems based on aminobis(methylene-ethyleneurea) ARDES ENTERPRISES, INC. (US) 2009-05-05 US claimed
US-20070179257-A1 Epoxy hardener systems based on aminomethylene-ethyleneureas ARDES ENTERPRISES, INC. 2007-08-02 US claimed
CN-109912530-A A kind of preparation method than his raw material impurity of department 上海奥博生物医药技术有限公司 2019-06-21 CN disclosed
US-7528200-B2 Epoxy hardener systems based on aminobis(methylene-ethyleneurea) ARDES ENTERPRISES, INC. (US) 2009-05-05 US disclosed
EP-2051712-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-29 EP disclosed
WO-2008021375-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 WO disclosed
US-20070179257-A1 Epoxy hardener systems based on aminomethylene-ethyleneureas ARDES ENTERPRISES, INC. 2007-08-02 US disclosed