SCHEMBL3763649

SCHEMBL3763649

[CH]1CCCC(c2ccccc2)(c2ccccc2)C1.[NaH].[NaH].[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.39
DRD4 P21917 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CYP2D6 P10635 1/20 0.36
DPP4 P27487 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL27515044 0.98 OPRM1 (0.43) OPRM1MEN1KMT2ACYP2C9HTR2A
SCHEMBL28677080 0.81 OPRM1 (0.48) OPRM1MEN1KMT2ACYP2C9HTR2A
SCHEMBL1515174 0.75 ESR1 (0.56) OPRM1MEN1KMT2ACYP2C9GRIN2D
SCHEMBL28243555 0.74 OPRM1 (0.48) OPRM1MEN1KMT2ACYP2C9HTR2A
SCHEMBL8772674 0.74 OPRM1 (0.61) OPRM1MEN1KMT2ACYP2C9HTR2A
SCHEMBL827795 0.74 OPRM1 (0.61) OPRM1MEN1KMT2ACYP2C9HTR2A
SCHEMBL24157288 0.72 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9GRIN2D
SCHEMBL30877902 0.72 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9GRIN2D
SCHEMBL30078304 0.72 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9GRIN2D
Ammonia Solution, Strong SCHEMBL7387505 0.72 OPRM1 (0.58) OPRM1MEN1KMT2ACYP2C9HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11047941-B2 System and method for magnetic resonance imaging THE UNIVERSITY OF WESTERN ONTARIO (CA) 2021-06-29 US disclosed
US-20180348321-A1 SYSTEM AND METHOD FOR MAGNETIC RESONANCE IMAGING THE UNIVERSITY OF WESTERN ONTARIO (CA) 2018-12-06 US disclosed
US-10054650-B2 System and method for magnetic resonance imaging THE UNIVERSITY OF WESTERN ONTARIO (CA) 2018-08-21 US disclosed
US-20150293193-A1 SYSTEM AND METHOD FOR MAGNETIC RESONANCE IMAGING UNIV WESTERN ONTARIO (CA) 2015-10-15 US disclosed
EP-2252901-A1 SYSTEM AND METHOD FOR MAGNETIC RESONANCE IMAGING The University Of Western Ontario (CA) 2010-11-24 EP disclosed
WO-2009111876-A1 SYSTEM AND METHOD FOR MAGNETIC RESONANCE IMAGING THE UNIVERSITY OF WESTERN ONTARIO (CA) 2009-09-17 WO disclosed