SCHEMBL8564556

SCHEMBL8564556

CCS(=O)(=O)C1CNc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
EPHX2 P34913 1/20 0.42
BRD4 O60885 3/20 0.38
CREBBP Q92793 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2B P41595 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 3/20 0.35
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8564565 1.00 MTNR1A (0.47) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL8564560 1.00 MTNR1A (0.47) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL8563961 0.83 MTNR1A (0.46) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL8563958 0.83 MTNR1A (0.46) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL8563956 0.83 MTNR1A (0.46) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL20609826 0.80 MTNR1A (0.42) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL7422364 0.73 MTNR1A (0.59) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL7422361 0.73 MTNR1A (0.59) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL9965445 0.70 BRD4 (0.55) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL2620988 0.70 BRD4 (0.55) MTNR1AMTNR1BEPHX2BRD4CREBBP

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