SCHEMBL8380855

SCHEMBL8380855

COC(=O)CCCN1CCN(C(=O)CN2CCN(C(=N)N)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
KDM1A O60341 1/20 0.35
DRD3 P35462 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
ACHE P22303 1/20 0.34
PAOX Q6QHF9 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7909434 0.92 SMN1; SMN2 (0.50) PKMGLASMN1; SMN2GAATSHR
SCHEMBL8382459 0.86 PKM (0.51) PKMGLASMN1; SMN2GAATSHR
SCHEMBL8384378 0.83 MAPK1 (0.47) PKMSMN1; SMN2GAATSHRALOX15
SCHEMBL19146051 0.80 PKM (0.42) PKMSMN1; SMN2TSHRKDM1ATPSAB1
SCHEMBL5856719 0.79 SIGMAR1 (0.55) GLASMN1; SMN2TSHRSIGMAR1KDM1A
SCHEMBL11570934 0.78 TSHR (0.58) GLASMN1; SMN2TSHRSIGMAR1LMNA
SCHEMBL8384455 0.77 PKM (0.45) PKMGLAGAATSHRALOX15
SCHEMBL7909740 0.77 SMN1; SMN2 (0.46) PKMGLASMN1; SMN2SIGMAR1KDM1A
SCHEMBL21068880 0.75 TSHR (0.47) GLASMN1; SMN2TSHRSIGMAR1HRH2
SCHEMBL9462329 0.75 SIGMAR1 (0.48) GLASMN1; SMN2TSHRSIGMAR1LMNA

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