SCHEMBL8384378

SCHEMBL8384378

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.43
GAA P10253 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 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
SCHEMBL8384455 0.91 PKM (0.45) MAPK1PKMGAASIGMAR1ALDH1A1
SCHEMBL7913433 0.84 GAA (0.50) MAPK1PKMGAAALDH1A1MAPT
SCHEMBL8380855 0.83 PKM (0.45) SMN1; SMN2PKMGAASIGMAR1ALDH1A1
SCHEMBL7909434 0.77 SMN1; SMN2 (0.50) SMN1; SMN2PKMGAAALDH1A1MAPT
SCHEMBL7900115 0.77 MAPK1 (0.46) MAPK1PKMGAAALDH1A1MAPT
SCHEMBL23854090 0.75 CYP1A2 (0.67) MAPK1CYP1A2SMN1; SMN2TSHRHSD17B10
SCHEMBL8512409 0.75 CYP1A2 (0.67) MAPK1CYP1A2SMN1; SMN2TSHRHSD17B10
SCHEMBL8947664 0.75
SCHEMBL8377176 0.75 CYP1A2 (0.78) MAPK1CYP1A2SMN1; SMN2TSHR
SCHEMBL7913360 0.73 TPSAB1 (0.37) MAPK1SMN1; SMN2SIGMAR1TSHRHTR1A

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