Methane

Methane

SCHEMBL8954604

C.CCN(CC)N(C)c1ccnc2ccccc12

nearest known ligand 0.47

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
LOXL2 Q9Y4K0 1/20 0.42
NCF1 P14598 1/20 0.41
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
CHKA P35790 1/20 0.38
FERMT2 Q96AC1 1/20 0.36
ACP1 P24666 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8954548 0.80 HRH3 (0.44) HRH3LOXL2NCF1HTR1AADRA1D
SCHEMBL14359324 0.80 HRH3 (0.60) HRH3LOXL2NCF1HTR1AADRA1D
SCHEMBL827779 0.77 HRH3 (0.51) HRH3LOXL2NCF1HTR1AADRA1D
SCHEMBL15453232 0.77 HRH3 (0.56) HRH3LOXL2NCF1HTR1AADRA1D
SCHEMBL1695271 0.73 HRH3 (0.60) HRH3
SCHEMBL9652160 0.72 HRH3 (0.62) HRH3LOXL2NCF1HTR1AADRA1D
SCHEMBL6530619 0.71 CHKA (0.68) HRH3LOXL2NCF1CHKAALDH1A1
SCHEMBL30307401 0.71 HRH3 (0.53) HRH3LOXL2NCF1ADRA1ACHKA
SCHEMBL5241892 0.71 HRH3 (0.47) HRH3LOXL2NCF1HTR1AADRA1D
SCHEMBL16596266 0.71 HRH3 (0.64) HRH3LOXL2NCF1HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316440-B1 System and method for providing localized Mössbauer absorption in an organic medium MILLS RANDELL L (US) 1996-01-03 EP claimed
EP-0316440-B1 System and method for providing localized Mössbauer absorption in an organic medium MILLS RANDELL L (US) 1996-01-03 EP disclosed