SCHEMBL8635355

SCHEMBL8635355

O=C(NCC(C(=O)O)N1CCN(c2ccncc2)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.48
TP53 P04637 2/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
DRD2 P14416 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL8699803 0.91 GAA (0.56) GAALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL8635011 0.77 ITGB3 (0.48) GAASMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8837973 0.76 ITGB3 (0.47) GAAALDH1A1TSHR
Hydrochloric Acid SCHEMBL27908881 0.76 DRD2 (0.72) HSD17B10DRD2
SCHEMBL8637900 0.75 OPRD1 (0.42) LMNASMN1; SMN2ALDH1A1TSHRF2
SCHEMBL7947475 0.75 KMT2A (0.52) SMN1; SMN2ALDH1A1KMT2ADRD2HTR1A
SCHEMBL2355678 0.75 DRD3 (0.72) DRD2HTR1AHTR2ADRD3
SCHEMBL8635826 0.74 HRH3 (0.54) GAASMN1; SMN2ALDH1A1TSHRDRD2
Hydrochloric Acid SCHEMBL8837964 0.74 ITGB3 (0.45) TSHR
SCHEMBL8630600 0.73 HRH3 (0.55) GAASMN1; SMN2ALDH1A1TSHRDRD2

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 3 patents. 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
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed