SCHEMBL8562524

SCHEMBL8562524

O=C(N[C@@H]1CNc2ccccc2C1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.61
▸ MTNR1A P48039 4/20 0.47
▸ MTNR1B P49286 4/20 0.47
▸ MAPK1 P28482 6/20 0.46
▸ HDAC8 Q9BY41 4/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL8562515 1.00 EPHX2 (0.61) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8562518 1.00 EPHX2 (0.61) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL429344 0.83 EPHX2 (0.66) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8568429 0.82 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL4830429 0.82 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8568435 0.82 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8569805 0.81 EPHX2 (0.64) EPHX2MTNR1AMTNR1BMAPK1MAPT
SCHEMBL8569806 0.81 EPHX2 (0.64) EPHX2MTNR1AMTNR1BMAPK1MAPT
SCHEMBL8569808 0.81 EPHX2 (0.64) EPHX2MTNR1AMTNR1BMAPK1MAPT
SCHEMBL8561739 0.79 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 — — US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 — — EP disclosed
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