SCHEMBL8910752

SCHEMBL8910752

COC1=CCN(c2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 3/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL21623 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KDM4ETDP1GAA
SCHEMBL7516695 0.77 CHRNA7 (0.42) ALDH1A1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL14689798 0.70 HSD17B10 (0.53) ALDH1A1SMN1; SMN2KDM4ETDP1GAA
SCHEMBL8910067 0.70 LMNA (0.36) ALDH1A1SMN1; SMN2KDM4EGAALMNA
SCHEMBL30337113 0.68 MEN1 (0.44) TRPV1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL4793090 0.67 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KDM4ETDP1GAA
SCHEMBL4565387 0.67 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4ETDP1GAA
SCHEMBL1361317 0.67 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EGAATSHR
SCHEMBL4072195 0.67 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4ETDP1GAA
SCHEMBL29500305 0.67 DRD1 (0.57) ALDH1A1SMN1; SMN2KDM4EGAATSHR

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-5625046-A Hydroxyl projecting groups for organic synthesis KING'S COLLEGE LONDON (GB) 1997-04-29 US disclosed
US-5436331-A Etherification with N-aryl-4-alkoxy-1,2,5,6-tetrahydropyidine KINGS COLLEGE LONDON (GB) 1995-07-25 US disclosed
EP-0298982-B1 PROTECTING GROUPS FOR ORGANIC SYNTHESIS KING'S COLLEGE LONDON (GB) 1991-08-28 EP disclosed