SCHEMBL8618953

SCHEMBL8618953

CO[C]1CCC(N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
TRPV6 Q9H1D0 1/20 0.44
CHKA P35790 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
PLD1 Q13393 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
SCHEMBL8613084 0.81 GRIN2B (0.54) GRIN2BHRH3ALDH1A1GAAL3MBTL1
SCHEMBL8618958 0.81 HRH3 (0.51) GRIN2BHRH3TRPV6CHKAHIF1A
SCHEMBL8620385 0.78 GRIN2B (0.50) GRIN2BHRH3TRPV6ALDH1A1L3MBTL1
SCHEMBL3640868 0.76 CHKA (0.50) GRIN2BHRH3CHKAALDH1A1L3MBTL1
SCHEMBL8790772 0.76 CHKA (0.50) GRIN2BHRH3CHKAALDH1A1L3MBTL1
SCHEMBL18867080 0.75 L3MBTL3 (0.53) GRIN2BHRH3CHKAALDH1A1L3MBTL1
SCHEMBL3716319 0.75 L3MBTL1 (0.67) GRIN2BHRH3ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL3716101 0.74 L3MBTL1 (0.65) GRIN2BHRH3ALDH1A1GAAKDM4E
SCHEMBL8613090 0.73 DRD2 (0.49) GRIN2BHRH3TRPV6ALDH1A1HIF1A
SCHEMBL8613757 0.72 HRH3 (0.61) HRH3TRPV6HIF1AKDM4E

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