SCHEMBL6967002

SCHEMBL6967002

COc1cc(C)c(C)cc1NC(=O)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.76
HTR1A P08908 3/20 0.62
HTR1D P28221 3/20 0.62
HTR1B P28222 3/20 0.62
HTR2A P28223 2/20 0.62
HTR2C P28335 2/20 0.62
HTR7 P34969 2/20 0.62
HTR6 P50406 2/20 0.62
GAA P10253 2/20 0.57
MAPT P10636 4/20 0.57
RAB9A P51151 2/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
MALT1 Q9UDY8 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL6960558 0.91 MAPT (0.67) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL6965400 0.89 RBP4 (0.60) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL6960101 0.87 MAPT (0.59) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL6956652 0.86 KMT2A (0.61) RBP4GAAMAPTRAB9AKMT2A
SCHEMBL16690804 0.86 RBP4 (1.00) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL6965687 0.86 RBP4 (0.57) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL6962308 0.85 RBP4 (0.56) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL6960722 0.85 RBP4 (0.71) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL6965639 0.84 RBP4 (0.55) RBP4HTR1AHTR1DHTR1BHTR2A
SCHEMBL6959670 0.83 RBP4 (0.69) RBP4GAAMAPTKMT2AALDH1A1

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed