SCHEMBL8635829

SCHEMBL8635829

O=C(CCCOc1ccccc1)ON1CCN(c2ccncc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HRH3 Q9Y5N1 11/20 0.56
HRH1 P35367 5/20 0.56
HRH2 P25021 2/20 0.56
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.50
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47

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 SCHEMBL8681087 0.99 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2HRH3
SCHEMBL8634727 0.96 HRH3 (0.55) MAPTNPC1RAB9ASMN1; SMN2HRH3
SCHEMBL8696504 0.86 HRH3 (0.51) MAPTNPC1RAB9ASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL8837971 0.80 HRH3 (0.44) HRH3TSHRMAPK1ALDH1A1GAA
SCHEMBL8637100 0.80 HRH3 (0.44) MAPTHRH3LMNATSHRALDH1A1
SCHEMBL7334548 0.80 ITGB3 (0.62) MAPTNPC1RAB9ASMN1; SMN2HRH3
SCHEMBL8635008 0.78 ITGB3 (0.44) SMN1; SMN2HRH3TSHRALDH1A1GAA
SCHEMBL7398027 0.78 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2HRH3
SCHEMBL8837938 0.78 CHKA (0.47) SMN1; SMN2HRH3TSHRALDH1A1GAA
SCHEMBL6482397 0.77 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2LMNA

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 2 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