SCHEMBL7536818

SCHEMBL7536818

[CH2]CN1CCN(C(=O)c2cc3ccccc3s2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.65
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
HRH3 Q9Y5N1 2/20 0.52
DPP4 P27487 2/20 0.52
DPP9 Q86TI2 1/20 0.52
HDAC6 Q9UBN7 3/20 0.51
DPP8 Q6V1X1 1/20 0.51
BCL2L1 Q07817 1/20 0.49
ACKR3 P25106 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL12918735 0.82 HRH4 (0.67) HRH4L3MBTL1DRD2DRD3CA12
SCHEMBL18071180 0.82 HRH4 (1.00) HRH4L3MBTL1DRD2DRD3CA12
SCHEMBL24416092 0.81 HRH4 (0.74) HRH4L3MBTL1DRD2DRD3CA12
Ethylene SCHEMBL8547383 0.81 HRH4 (0.68) HRH4L3MBTL1DRD2DRD3CA12
SCHEMBL13664683 0.79 HRH4 (0.62) HRH4L3MBTL1DRD2DRD3CA12
SCHEMBL933006 0.79 HRH4 (0.70) HRH4L3MBTL1DRD2DRD3CA12
SCHEMBL16599230 0.77 HRH4 (0.67) HRH4L3MBTL1DRD2DRD3CA12
SCHEMBL29078106 0.77 HDAC6 (0.62) HRH4L3MBTL1DRD2DRD3CA12
SCHEMBL30518039 0.77 HDAC6 (0.62) HRH4L3MBTL1DRD2DRD3CA12
SCHEMBL3769479 0.76 HRH4 (0.55) HRH4L3MBTL1DRD2DRD3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020437-A2 BASIC COMPOUNDS CONTAINING TERTIARY AMIDES WITH ACTIVITY ON TACHYKININ RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2002-03-14 WO disclosed