SCHEMBL8235668

SCHEMBL8235668

CC(=O)N1CCC(CCOc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.70
TEAD3 Q99594 1/20 0.70
CHEK2 O96017 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL3830625 0.88 TEAD1 (0.73) TEAD1TEAD3NPC1RAB9AALDH1A1
SCHEMBL2158159 0.84 GPR119 (0.65) TEAD1TEAD3CHEK2
SCHEMBL13913916 0.83 TEAD1 (0.67) TEAD1TEAD3NPC1RAB9AALDH1A1
SCHEMBL2789468 0.83 TEAD1 (0.66) TEAD1TEAD3NPC1RAB9AALDH1A1
SCHEMBL7963237 0.81 TEAD1 (0.63) TEAD1TEAD3CHEK2NPC1RAB9A
SCHEMBL7963235 0.81 TEAD1 (0.63) TEAD1TEAD3NPC1RAB9AALDH1A1
SCHEMBL3356937 0.79 TEAD1 (0.60) TEAD1TEAD3NPC1RAB9AALDH1A1
SCHEMBL25120223 0.78 FAAH (0.51) TEAD1TEAD3ALDH1A1LMNATSHR
SCHEMBL1332206 0.78 TEAD1 (0.60) TEAD1TEAD3NPC1RAB9AALDH1A1
SCHEMBL16332966 0.78 CARM1 (0.54) ALDH1A1

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-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO disclosed