Methane

Methane

SCHEMBL7337948

C.NN=Cc1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.64
ITGA2B P08514 1/20 0.64
ALOX15 P16050 1/20 0.62
HRH3 Q9Y5N1 1/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 5/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
S1PR1 P21453 1/20 0.40
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.39
FURIN P09958 1/20 0.39
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
THRB P10828 1/20 0.38
L3MBTL3 Q96JM7 2/20 0.38
MBTD1 Q05BQ5 1/20 0.38
TP53BP1 Q12888 1/20 0.38

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
SCHEMBL6839450 0.99 ITGB3 (0.65) ITGB3ITGA2BALOX15HRH3KMT2A
Hydrochloric Acid SCHEMBL8431413 0.97 ALOX15 (0.64) ITGB3ITGA2BALOX15HRH3KMT2A
Trifluoroacetic Acid SCHEMBL7336173 0.93 ITGB3 (0.58) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7341898 0.86 ITGB3 (0.47) ITGB3ITGA2BALOX15KMT2AMAPT
SCHEMBL7344483 0.85 ITGB3 (0.48) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7345723 0.84 ITGB3 (0.49) ITGB3ITGA2BALOX15HRH3KDM4E
SCHEMBL7345353 0.83 ITGB3 (0.47) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7338370 0.83 ITGB3 (0.45) ITGB3ITGA2BALOX15KDM4ECYP2C19
SCHEMBL7344621 0.83 ITGB3 (0.56) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL27417536 0.82 KMT2A (0.64) ITGB3ITGA2BALOX15KMT2AMAPT

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-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP claimed
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed