SCHEMBL8668017

SCHEMBL8668017

CC(=O)OC(=O)C(Oc1ccccc1)N1C(=O)CN(C2CCNCC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
KCNH2 Q12809 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
SLC6A3 Q01959 3/20 0.32
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32

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 SCHEMBL8670960 0.99 SLC6A2 (0.33) SLC6A2SLC6A4KCNH2SSTR1SSTR4
SCHEMBL8670586 0.87 CHRM2 (0.32) SLC6A2SLC6A4SSTR1SSTR4SLC6A3
Hydrochloric Acid SCHEMBL8480750 0.82 KMT2A (0.36) SSTR1SSTR4
SCHEMBL8666646 0.81 PARP1 (0.33) SLC6A2SLC6A4SSTR1SSTR4SLC6A3
Hydrochloric Acid SCHEMBL8670945 0.81 PARP1 (0.33) SLC6A2SLC6A4SSTR1SSTR4SLC6A3
SCHEMBL8669847 0.77 TP53 (0.38) SSTR1SSTR4HRH1
Hydrochloric Acid SCHEMBL8670989 0.76 TP53 (0.38) SSTR1SSTR4
SCHEMBL8671552 0.71 KMT2A (0.36) CYP2D6
Hydrochloric Acid SCHEMBL8669965 0.71 SMN1; SMN2 (0.35) CYP2D6
SCHEMBL8668496 0.70 CYP2D6 (0.38) KCNH2CYP2D6HRH1

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