SCHEMBL7559747

SCHEMBL7559747

O=C(NOCC(O)CN1CCCCC1)Nc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CHRNA7 P36544 2/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ CDK2 P24941 2/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ ABCB1 P08183 6/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ATM Q13315 1/20 0.42

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
SCHEMBL7523557 0.86 POLB (0.55) POLBABCB1KDM4ECYP2D6TSHR
Hydrochloric Acid SCHEMBL28351303 0.81 PRMT5 (0.48) PRMT5WDR77ABCB1CYP2D6
SCHEMBL3175907 0.80 ALDH1A1 (0.56) ABCB1EPHX2CYP2D6TSHR
SCHEMBL7534159 0.79 KDM4E (0.62) POLBABCB1KDM4ECYP2D6TSHR
SCHEMBL7525705 0.78 HRH3 (0.52) ABCB1EPHX2
Bgp-15 SCHEMBL2325445 0.78 ABCB1 (0.46) ABCB1KDM4ECYP2D6TSHRHIF1A
Bgp-15 SCHEMBL29358886 0.78 ABCB1 (0.46) ABCB1KDM4ECYP2D6TSHRHIF1A
SCHEMBL3070333 0.77 CYP2D6 (0.58) POLBABCB1CYP2D6
Bgp-15 SCHEMBL3067994 0.77 CYP2D6 (0.45) ABCB1KDM4ECYP2D6TSHRHIF1A
Bgp-15 SCHEMBL28351041 0.77 CYP2D6 (0.45) ABCB1KDM4ECYP2D6TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832079-B1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO FEJLESZTOE KFT (HU) 2002-03-27 — — EP disclosed
US-6002002-A Anti-ischaemic hydroxylamine derivatives and pharmaceutical compositions BIOREX RESEARCH & DEVELOPMENT CO. (HU) 1999-12-14 — — US disclosed
EP-0832079-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1998-04-01 — — EP disclosed
WO-1997000251-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1997-01-03 — — WO disclosed
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