SCHEMBL8910067

SCHEMBL8910067

COC1=CCN(c2ccc(C)cc2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
CHRM1 P11229 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL45211 0.81 LMNA (0.39) LMNASMN1; SMN2MAPK1HTTKMT2A
SCHEMBL12772282 0.72 CHRM1 (0.51) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL8911623 0.71 ALDH1A3 (0.45) MAPK1HTTKMT2AMEN1MAPT
SCHEMBL12908043 0.70 ALDH1A1 (0.58) LMNAMAPK1HTTKMT2AMEN1
SCHEMBL8910752 0.70 TRPV1 (0.44) LMNASMN1; SMN2MAPK1HTTKMT2A
SCHEMBL13419187 0.69 ALDH1A1 (0.61) LMNAMAPK1HTTKMT2AMEN1
SCHEMBL8910816 0.68 BCHE (0.42) LMNASMN1; SMN2MAPK1HTTKMT2A
SCHEMBL3136809 0.68 ALDH1A1 (0.46) LMNASMN1; SMN2MAPK1HTTKMT2A
SCHEMBL12082638 0.67 MAPT (0.64) LMNASMN1; SMN2MAPK1HTTMAPT
SCHEMBL20860985 0.67 GRIN2D (0.55) SMN1; SMN2MAPK1HTTKMT2AMEN1

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