SCHEMBL8703286

SCHEMBL8703286

CCc1cc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
P2RY12 Q9H244 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL8704719 0.94 TSHR (0.42) MAPTHTTNPC1RAB9AHTR1A
SCHEMBL8705088 0.94 HSD17B10 (0.48) MAPTHTTRAB9AHTR1AHTR1D
SCHEMBL8699402 0.90 KMT2A (0.49) MAPTTSHRHSD17B10KDM4EUSP2
SCHEMBL8700061 0.89 MAPT (0.57) MAPTHTTNPC1RAB9ATSHR
SCHEMBL8705064 0.89 HTR1A (0.52) MAPTHTTRAB9AHTR1AHTR1D
SCHEMBL6962599 0.89 KMT2A (0.39) MAPTTSHRHSD17B10KDM4EUSP2
SCHEMBL8704931 0.87 RBP4 (0.57) MAPTHTTHTR1AHTR1DHTR1B
SCHEMBL8700453 0.85 RBP4 (0.56) MAPTHTTTSHRHSD17B10KDM4E
SCHEMBL8699871 0.85 GAA (0.48) MAPTTSHRHSD17B10KDM4EUSP2
SCHEMBL8703804 0.85 KMT2A (0.46) MAPTKDM4EALDH1A1GAAP2RY12

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US 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