SCHEMBL269564

SCHEMBL269564

O=C(N[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)C1)c1cccc2occc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
CCR3 P51677 2/20 0.44
HCRTR1 O43613 8/20 0.43
HCRTR2 O43614 5/20 0.43
USP30 Q70CQ3 1/20 0.42
CHEK1 O14757 1/20 0.41
PDE2A O00408 1/20 0.40
MAOB P27338 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
SCHEMBL268538 0.78 USP30 (0.58) MEN1KMT2AUSP30
SCHEMBL269690 0.78 USP30 (0.58) MEN1KMT2AUSP30
SCHEMBL268539 0.78 USP30 (0.58) MEN1KMT2AUSP30
SCHEMBL271167 0.74 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL269854 0.74 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1398579 0.74 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1398698 0.74 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1398628 0.74 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1141110 0.73 JAK2 (0.45) KMT2AHCRTR1HCRTR2USP30PDE2A
SCHEMBL1830599 0.73 JAK2 (0.45) KMT2AHCRTR1HCRTR2USP30PDE2A

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
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US claimed
EP-2094685-B1 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP claimed
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
EP-2094685-B1 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP disclosed