SCHEMBL8484138

SCHEMBL8484138

O=C(O)C1CCN(CCNC(=O)N2CCN(C3CCNCC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38

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
Hydrochloric Acid SCHEMBL8487242 0.99 HRH3 (0.39) HRH3TPSAB1TPSD1TPSG1GABRP
Hydrochloric Acid SCHEMBL9058907 0.77 TPSAB1 (0.43) HRH3TPSAB1TPSD1TPSG1CHRM4
SCHEMBL4155085 0.75 TSHR (0.61) HRH3GABRPGABRDGABRA1TSHR
SCHEMBL8484135 0.73 LMNA (0.39) HRH3GABRPGABRDGABRA1TSHR
Hydrochloric Acid SCHEMBL9058143 0.72 POLB (0.49) HRH3TSHRHSD17B10POLBITGB3
Hydrochloric Acid SCHEMBL8550451 0.70 L3MBTL1 (0.47) CHRM4MEN1KMT2AHSD17B10ITGB3
SCHEMBL8484147 0.70 POLB (0.38) HRH3TPSAB1TPSD1TPSG1GABRP
SCHEMBL517371 0.69 HRH3 (0.45) HRH3GABRPGABRDGABRA1TSHR
SCHEMBL16083486 0.68 HSD17B10 (0.53) MEN1KMT2AHSD17B10POLBEPHX2
SCHEMBL8486862 0.68 ITGB3 (0.41) HRH3TPSAB1TPSD1TPSG1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
CN-1183770-A Piperazine derivatives, medicaments containing these compounds, their use and processes for their preparation THOMAE GMBH DR K (DE) 1998-06-03 CN disclosed