SCHEMBL8669847

SCHEMBL8669847

CC(=O)OC(=O)C(Oc1ccccc1)N1CCN(C2CCNCC2)C(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
IL4I1 Q96RQ9 1/20 0.38
PARP1 P09874 3/20 0.35
KHK P50053 2/20 0.33
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH1 P35367 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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 SCHEMBL8670989 0.99 TP53 (0.38) TP53IL4I1PARP1KHKSSTR1
SCHEMBL8666646 0.84 PARP1 (0.33) PARP1SSTR1SSTR4MEN1KMT2A
Hydrochloric Acid SCHEMBL8670945 0.83 PARP1 (0.33) PARP1SSTR1SSTR4MEN1KMT2A
SCHEMBL8670586 0.83 CHRM2 (0.32) SSTR1SSTR4MEN1KMT2A
Hydrochloric Acid SCHEMBL8480750 0.78 KMT2A (0.36) KHKSSTR1SSTR4MEN1KMT2A
SCHEMBL8668017 0.77 SLC6A2 (0.33) SSTR1SSTR4HRH1
Hydrochloric Acid SCHEMBL8670960 0.76 SLC6A2 (0.33) SSTR1SSTR4HRH1
SCHEMBL8672255 0.70 TP53 (0.36) TP53KHK
Hydrochloric Acid SCHEMBL8672245 0.69 TP53 (0.35) TP53KHK
SCHEMBL8669845 0.69 TP53 (0.39) TP53PARP1KHKSSTR1SSTR4

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-5814636-A TREATMENT AND PROPHYLAXIS OF THROMBOTIC DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-09-29 US disclosed