SCHEMBL8666646

SCHEMBL8666646

CC(=O)OC(=O)C(Oc1ccccc1)N1CC(=O)N(C2CCNCC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 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 SCHEMBL8670945 0.99 PARP1 (0.33) PARP1SSTR1SSTR4MEN1KMT2A
SCHEMBL8670586 0.85 CHRM2 (0.32) SSTR1SSTR4MEN1KMT2ASLC6A2
SCHEMBL8669847 0.84 TP53 (0.38) PARP1SSTR1SSTR4MEN1KMT2A
Hydrochloric Acid SCHEMBL8670989 0.83 TP53 (0.38) PARP1SSTR1SSTR4MEN1KMT2A
SCHEMBL8668017 0.81 SLC6A2 (0.33) SSTR1SSTR4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8670960 0.80 SLC6A2 (0.33) SSTR1SSTR4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8480750 0.76 KMT2A (0.36) SSTR1SSTR4MEN1KMT2A
SCHEMBL8672042 0.71 SMN1; SMN2 (0.35) CYP2D6
SCHEMBL8666641 0.69 SSTR4 (0.37) PARP1SSTR1SSTR4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8670941 0.68 SSTR4 (0.36) PARP1SSTR1SSTR4SLC6A2SLC6A4

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