SCHEMBL8699566

SCHEMBL8699566

CCc1cc(NC(=O)N2CCN(c3cc(-c4ccccc4)ccc3OC)CC2)c(OC)nc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.53
HTR1D P28221 8/20 0.53
HTR1B P28222 8/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR6 P50406 3/20 0.53
RBP4 P02753 3/20 0.48
THRB P10828 1/20 0.48
FAAH O00519 1/20 0.47
HTR7 P34969 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL8705983 0.89 MAPT (0.57) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL8700902 0.88 CXCR3 (0.48) RBP4THRBFAAHSMN1; SMN2MAPT
SCHEMBL8705057 0.88 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL8703773 0.88 RBP4 (0.51) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL8700393 0.86 RBP4 (0.58) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6961576 0.85 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL8705064 0.84 HTR1A (0.52) HTR1AHTR1DHTR1BRBP4THRB
SCHEMBL8704931 0.84 RBP4 (0.57) HTR1AHTR1DHTR1BRBP4FAAH
SCHEMBL9057833 0.84 RBP4 (0.50) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL8699470 0.83 KMT2A (0.51) HTR1AHTR1DHTR1BRBP4SMN1; SMN2

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