SCHEMBL6659083

SCHEMBL6659083

O=C(N1CCC(Cc2ccccc2)CC1)[C@]1(Cc2ccccc2)C[C@@H](O)CN1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
MAPK14 Q16539 3/20 0.46
HTR2B P41595 2/20 0.46
GAA P10253 1/20 0.46
TACR3 P29371 1/20 0.45
MGLL Q99685 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL6692486 0.85 L3MBTL1 (0.49) KMT2AMEN1LMNAALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL6662221 0.75 HRH3 (0.62) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL2636547 0.71 MEN1 (0.68) FAAHKMT2AMEN1LMNAALDH1A1
SCHEMBL4576736 0.70 L3MBTL1 (0.69) FAAHKMT2AMEN1LMNAALDH1A1
SCHEMBL3026559 0.70 CYP2C9 (0.67) FAAHKMT2AMEN1LMNAALDH1A1
SCHEMBL8904897 0.69 ALDH1A1 (0.64) FAAHKMT2AMEN1LMNAALDH1A1
SCHEMBL6658354 0.69 HRH3 (0.58) FAAHKMT2AMEN1LMNAALDH1A1
SCHEMBL7419173 0.69 CYP2C9 (0.65) FAAHKMT2AMEN1LMNACYP2C9
SCHEMBL14252818 0.69 MEN1 (0.64) FAAHKMT2AMEN1LMNAALDH1A1
SCHEMBL12466880 0.69 MEN1 (0.64) FAAHKMT2AMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441728-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY Vertex Pharmaceuticals Incorporated (US) 2004-08-04 EP disclosed
WO-2003037338-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-08 WO disclosed
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed