SCHEMBL6526481

SCHEMBL6526481

N[C@@]1(C(=O)O)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
NR2E1 Q9Y466 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTR5A P47898 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
FAAH O00519 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CHRNA7 P36544 1/20 0.40

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
SCHEMBL1114261 1.00 LMNA (0.45) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL11838605 0.83 LMNA (0.47) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL4969326 0.81 MAPT (0.43) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL11204300 0.80 HTR2A (0.47) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL5881040 0.79 BAZ2B (0.53) LMNABAZ2BSIRT1
SCHEMBL5881078 0.79 MAPKAPK2 (0.52) LMNAMAPTKDM4EALDH1A1
SCHEMBL31684725 0.77 HTR2A (0.46) HTR2AHTR2CNR2E1KDM4EHTR5A
SCHEMBL6529663 0.77 HTR2A (0.49) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL4651124 0.76 HTR2A (0.45) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL4652083 0.76 HTR2A (0.45) LMNAMAPTBAZ2BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005033099-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-04-14 WO disclosed