SCHEMBL8384455

SCHEMBL8384455

N=C(N)N1CCN(CC(=O)N2CCN(CCC(=O)O)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.41
HTR7 P34969 3/20 0.40
HTR1A P08908 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAPK1 P28482 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36

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
SCHEMBL8384378 0.91 MAPK1 (0.47) PKMGAAALOX15TSHRHSD17B10
SCHEMBL7913433 0.87 GAA (0.50) PKMGAAALOX15TSHRHSD17B10
SCHEMBL7909434 0.82 SMN1; SMN2 (0.50) PKMGAAALOX15TSHRHSD17B10
SCHEMBL7913360 0.81 TPSAB1 (0.37) TSHRGLAHTR7HTR1AITGB3
SCHEMBL7900115 0.79 MAPK1 (0.46) PKMGAAALOX15TSHRHSD17B10
SCHEMBL8380855 0.77 PKM (0.45) PKMGAAALOX15TSHRHSD17B10
SCHEMBL8382459 0.75 PKM (0.51) PKMGAAALOX15TSHRHSD17B10
SCHEMBL19146559 0.74 KDM4E (0.52) PKMGAAALOX15TSHRHSD17B10
SCHEMBL9621522 0.73 GLA (0.57) HSD17B10ALDH1A1MAPTGLAHTR7
SCHEMBL8685695 0.73 GLA (0.57) HSD17B10ALDH1A1MAPTGLAHTR7

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-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed