SCHEMBL8618958

SCHEMBL8618958

COC1CCC(N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
TRPV6 Q9H1D0 1/20 0.45
CHKA P35790 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
GRIN2B Q13224 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
PLD1 Q13393 1/20 0.41

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
SCHEMBL20760976 0.84 GRIN2B (0.59) DRD2DRD3GRIN2BL3MBTL3L3MBTL1
SCHEMBL18232039 0.84 CHKA (0.53) HRH3CHKAHIF1AITGB3ITGA2B
SCHEMBL8613757 0.82 HRH3 (0.61) HRH3TRPV6HIF1AMEN1KMT2A
SCHEMBL8618953 0.81 GRIN2B (0.48) HRH3TRPV6CHKADRD2DRD3
SCHEMBL8613090 0.80 DRD2 (0.49) HRH3TRPV6DRD2DRD3GRIN2B
SCHEMBL3640868 0.78 CHKA (0.50) HRH3CHKADRD2DRD3GRIN2B
SCHEMBL8790772 0.78 CHKA (0.50) HRH3CHKADRD2DRD3GRIN2B
SCHEMBL8620387 0.77 MAPT (0.48) HRH3TRPV6DRD2DRD3GRIN2B
SCHEMBL3716319 0.76 L3MBTL1 (0.67) HRH3DRD2DRD3GRIN2BL3MBTL3
SCHEMBL18867080 0.76 L3MBTL3 (0.53) HRH3CHKAGRIN2BKMT2AL3MBTL3

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
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed