SCHEMBL6529663

SCHEMBL6529663

CC1(N)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
NR2E1 Q9Y466 2/20 0.48
CHRNA7 P36544 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 4/20 0.44
HTR5A P47898 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
DRD3 P35462 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL31510878 0.84 HTR2A (0.51) HTR2AHTR2CNR2E1CHRNA7TAAR1
SCHEMBL31510880 0.84 HTR2A (0.51) HTR2AHTR2CNR2E1CHRNA7TAAR1
SCHEMBL17999481 0.81 F9 (0.39) BAZ2BACHE
SCHEMBL31684725 0.79 HTR2A (0.46) HTR2AHTR2CNR2E1CHRNA7TAAR1
SCHEMBL4652083 0.78 HTR2A (0.45) HTR2AHTR2CNR2E1CHRNA7TAAR1
SCHEMBL4651124 0.78 HTR2A (0.45) HTR2AHTR2CNR2E1CHRNA7TAAR1
SCHEMBL14029096 0.78 HTR2A (0.45) HTR2AHTR2CNR2E1CHRNA7TAAR1
SCHEMBL1114261 0.77 LMNA (0.45) HTR2AHTR2CNR2E1CHRNA7TAAR1
SCHEMBL6526481 0.77 LMNA (0.45) HTR2AHTR2CNR2E1CHRNA7TAAR1
SCHEMBL4280139 0.75 HTR2A (0.49) HTR2AHTR2CNR2E1CHRNA7TAAR1

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