SCHEMBL5237158

SCHEMBL5237158

O=C(O)N1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
SLC6A7 Q99884 1/20 0.68
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 3/20 0.59
AKR1C3 P42330 1/20 0.59
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.58
ALOX15 P16050 1/20 0.57
GLA P06280 1/20 0.57
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL632109 0.95 CA12 (0.69) KMT2AMEN1SLC6A7CA12CA1
SCHEMBL5239356 0.86 MEN1 (0.68) KMT2AMEN1SLC6A7LMNAALDH1A1
SCHEMBL5233832 0.83 LMNA (0.62) KMT2AMEN1SLC6A7CA12CA2
SCHEMBL16595411 0.82 CA12 (0.67) KMT2AMEN1SLC6A7CA12CA1
SCHEMBL5231928 0.82 CA12 (0.66) KMT2AMEN1SLC6A7CA12CA2
SCHEMBL16026460 0.82 CA12 (0.71) KMT2AMEN1SLC6A7CA12CA1
SCHEMBL27607283 0.82 AKR1C3 (0.83) KMT2AMEN1SLC6A7CA12CA1
SCHEMBL16655737 0.80 SLC6A7 (0.59) KMT2AMEN1SLC6A7ALDH1A1SMN1; SMN2
SCHEMBL17801327 0.79 NPC1 (0.73) KMT2AMEN1CA12CA1CA2
SCHEMBL5235731 0.79 PANK3 (0.54) KMT2AMEN1SLC6A7LMNAALDH1A1

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
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed