SCHEMBL8700940

SCHEMBL8700940

CCc1cc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c(OC)nc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.61
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
P2RY12 Q9H244 2/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TRPV1 Q8NER1 4/20 0.47
KDM4E B2RXH2 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
SCHEMBL8705064 0.91 HTR1A (0.52) RBP4HTR1AHTR1DHTR1BKMT2A
SCHEMBL8699470 0.90 KMT2A (0.51) RBP4HTR1AHTR1DHTR1BKMT2A
SCHEMBL8699402 0.90 KMT2A (0.49) RBP4KMT2AGAAP2RY12MAPT
SCHEMBL8705983 0.90 MAPT (0.57) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL8701376 0.90 RBP4 (0.48) RBP4KMT2AGAAP2RY12MAPT
SCHEMBL8704966 0.89 RBP4 (0.48) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL8702290 0.89 RBP4 (0.48) RBP4KMT2AGAAP2RY12MAPT
SCHEMBL8704636 0.89 KMT2A (0.57) RBP4HTR1AHTR1DHTR1BHTR2C
SCHEMBL8705260 0.89 RBP4 (0.55) RBP4KMT2AGAAP2RY12MAPT
SCHEMBL8699044 0.89 KDM4E (0.51) RBP4HTR7KMT2AP2RY12MAPT

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