SCHEMBL9521153

SCHEMBL9521153

O=C1CCCc2c3c(cc(F)c21)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 5/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL30841669 0.74 KDM4E (0.39) BRD4SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL22778188 0.71 BRD4 (0.39) BRD4SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL2886044 0.69 MAPT (0.42) BRD4SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL23673840 0.68 BRD4 (0.37) BRD4SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL31170830 0.68 BRD4 (0.37) BRD4SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL29771324 0.68 BRD4 (0.37) BRD4SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL9448227 0.68 CYP1A2 (0.31) CYP2D6CYP1A2
SCHEMBL15493967 0.67 ALDH1A1 (0.39) BRD4SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL1477849 0.66 ALDH1A1 (0.41) BRD4SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL29525031 0.66 ALDH1A1 (0.41) BRD4SMN1; SMN2ALDH1A1MAPTKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed