SCHEMBL8654154

SCHEMBL8654154

O=C(O)C(Oc1ccccc1)C(=O)CN1CCN(c2ccnc3c2CCCC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 2/20 0.37
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ABCB1 P08183 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GFER P55789 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL8654157 0.79 TSHR (0.40) SLC27A1ALDH1A1GAATSHRMAPT
SCHEMBL8696288 0.74 HSD17B10 (0.36) ALDH1A1TSHRHSD17B10ABCB1KDM4E
SCHEMBL7404196 0.73 HRH3 (0.42) ALDH1A1TSHRMAPTABCB1KDM4E
SCHEMBL8654165 0.69 PDGFRB (0.33) ALDH1A1TSHRMAPTHSD17B10KDM4E
SCHEMBL8630368 0.63 ITGB3 (0.44) ALDH1A1TSHRMAPTHSD17B10LMNA
SCHEMBL7406379 0.63 NCF1 (0.49)
SCHEMBL8604342 0.60 HRH3 (0.53) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL2560281 0.59 LDHA (0.65) GAA
SCHEMBL20592934 0.59 LDHA (0.47) ALDH1A1GAATSHR
SCHEMBL26134046 0.59 LDHA (0.52) GAA

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-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed