SCHEMBL9016302

SCHEMBL9016302

CCc1cc(CCN(C(=O)O)c2ccccc2)c(OC)nc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9058201 0.94 GRM1 (0.37) GRM1SMN1; SMN2HTTTSHRALDH1A1
SCHEMBL9016295 0.91 NPC1 (0.39) GRM1SMN1; SMN2HTTTSHRALDH1A1
SCHEMBL8701288 0.88 ALDH1A1 (0.40) GRM1SMN1; SMN2HTTTSHRALDH1A1
SCHEMBL9058099 0.78 NPC1 (0.36) GRM1SMN1; SMN2ALDH1A1TP53MEN1
SCHEMBL7626374 0.77 MEN1 (0.40) GRM1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL9016301 0.73 TAAR1 (0.52) GAA
SCHEMBL8699460 0.72 TSHR (0.39) GRM1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8703454 0.72 MAPK1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9016285 0.71 NPC1 (0.38) GRM1SMN1; SMN2ALDH1A1TP53MEN1
SCHEMBL8699467 0.71 TSHR (0.36) GRM1SMN1; SMN2TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
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