SCHEMBL6960722

SCHEMBL6960722

COc1cc(C)c(C)cc1NC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.71
HTR1A P08908 3/20 0.58
HTR1D P28221 3/20 0.58
HTR1B P28222 3/20 0.58
POLB P06746 4/20 0.57
USP2 O75604 3/20 0.57
HSD17B10 Q99714 3/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.57
TSHR P16473 2/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 4/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 6/20 0.55
MAPK1 P28482 3/20 0.55
MEN1 O00255 2/20 0.55
HCRTR1 O43613 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL6962601 0.89 RBP4 (0.57) RBP4HTR1AHTR1DHTR1BPOLB
SCHEMBL6959670 0.89 RBP4 (0.69) RBP4POLBUSP2HSD17B10LMNA
SCHEMBL6966493 0.88 RBP4 (0.56) RBP4HTR1AHTR1DHTR1BPOLB
SCHEMBL6960558 0.87 MAPT (0.67) RBP4HTR1AHTR1DHTR1BLMNA
SCHEMBL6960605 0.86 RBP4 (0.54) RBP4HTR1AHTR1DHTR1BPOLB
SCHEMBL6956210 0.86 GAA (0.57) RBP4HTR1AHTR1DHTR1BPOLB
SCHEMBL6780561 0.85 MEN1 (0.73) POLBLMNAKMT2AGAAMAPT
SCHEMBL6965400 0.85 RBP4 (0.60) RBP4HTR1AHTR1DHTR1BLMNA
SCHEMBL6967002 0.85 RBP4 (0.76) RBP4HTR1AHTR1DHTR1BPOLB
SCHEMBL6966587 0.84 RBP4 (0.52) RBP4HTR1AHTR1DHTR1BPOLB

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