SCHEMBL3955878

SCHEMBL3955878

[CH2]CCC1CCN(C(C)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.42
EPHX1 P07099 2/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
QDPR P09417 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
SCHEMBL3457863 0.90 EPHX2 (0.39) EPHX2EPHX1CYP1A2TDP1GNAI3
SCHEMBL771884 0.85 EPHX2 (0.43) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL12641 0.83 GNAI3 (0.45) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL1501881 0.83 AKR1C3 (0.43) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL3122925 0.82 EPHX2 (0.41) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL13804037 0.82 ALDH1A1 (0.42) EPHX2EPHX1CYP1A2TDP1GNAI3
SCHEMBL6043115 0.82 CHRM2 (0.44) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL4569262 0.80 EPHX2 (0.43) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL3036073 0.80 ITGB3 (0.46) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL7299175 0.80 AKR1C3 (0.45) EPHX2EPHX1CYP1A2TDP1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
EP-0420806-B1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed
EP-0420806-A1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed