SCHEMBL9057732

SCHEMBL9057732

CCc1cc(NC(=O)N2CCN(Cc3ccccc3OC)CC2)c(OC)nc1C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HTT P42858 2/20 0.51
PHGDH O43175 1/20 0.51
ALOX15 P16050 1/20 0.49
CYP2D6 P10635 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RBP4 P02753 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.47
MAPK1 P28482 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
SCHEMBL8704718 0.95 FAAH (0.49) FAAHMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8700472 0.88 MAPK1 (0.53) FAAHMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8705983 0.85 MAPT (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL8699451 0.85 FAAH (0.51) FAAHKDM4EALDH1A1PHGDHMAPK1
SCHEMBL8699709 0.83 FAAH (0.57) FAAHKDM4EALDH1A1PHGDHPKM
SCHEMBL9057833 0.82 RBP4 (0.50) FAAHMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8704931 0.82 RBP4 (0.57) FAAHMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8705088 0.82 HSD17B10 (0.48) FAAHMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8704176 0.81 MAPT (0.55) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL8705064 0.80 HTR1A (0.52) KMT2ASMN1; SMN2KDM4EALDH1A1HTT

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-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed