SCHEMBL8701040

SCHEMBL8701040

CCc1cc(NC(=O)N2CCN(c3ccccc3Oc3ccccc3)CC2)c(OC)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.48
RBP4 P02753 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
PDGFRB P09619 2/20 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
SCHEMBL8701257 0.93 MAPT (0.52) MAPTRAB9AALDH1A1TSHRRBP4
SCHEMBL8705983 0.92 MAPT (0.57) MAPTRAB9AALDH1A1TSHRRBP4
SCHEMBL8704176 0.89 MAPT (0.55) MAPTRAB9AALDH1A1TSHRRBP4
SCHEMBL8705064 0.87 HTR1A (0.52) MAPTRAB9AALDH1A1TSHRRBP4
SCHEMBL9057833 0.86 RBP4 (0.50) MAPTRAB9AALDH1A1TSHRRBP4
SCHEMBL8699350 0.86 KMT2A (0.53) MAPTALDH1A1TSHRRBP4KMT2A
SCHEMBL8700940 0.86 RBP4 (0.61) MAPTRAB9AALDH1A1RBP4MEN1
SCHEMBL8699470 0.86 KMT2A (0.51) MAPTRAB9AALDH1A1TSHRRBP4
SCHEMBL8704504 0.85 MAPT (0.54) MAPTRAB9AALDH1A1TSHRRBP4
SCHEMBL6963593 0.85 MAPT (0.54) MAPTRAB9AALDH1A1TSHRRBP4

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