SCHEMBL7330971

SCHEMBL7330971

CCNc1ccc2c(c1)C(CC(N)=O)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
NR3C1 P04150 1/20 0.38
TSHR P16473 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
EPHX2 P34913 1/20 0.36
HTR2A P28223 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12370455 0.82 EPHX2 (0.47) NR3C1EPHX2KMT2APOLB
SCHEMBL12370450 0.82 HRH3 (0.41) NR3C1EPHX2HTR2AKMT2AMEN1
SCHEMBL87863 0.80 HSD17B10 (0.59) HSD17B10TSHRHTR2AKMT2ACYP1A2
SCHEMBL12370402 0.79 EPHX2 (0.45) NR3C1EPHX2KMT2A
SCHEMBL12370458 0.77 EPHX2 (0.50) EPHX2KMT2A
SCHEMBL12370382 0.71 EPHX2 (0.40) NR3C1EPHX2KMT2AALDH1A1MAPT
SCHEMBL13500221 0.69 RAB9A (0.58) NR3C1KMT2AMEN1NPC1ALDH1A1
SCHEMBL14062472 0.69 MAOA (0.54) HSD17B10HTR2BEPHX2KMT2AMEN1
SCHEMBL24634723 0.68 LCK (0.54) EPHX2HTR2AALDH1A1MAPT
SCHEMBL15800630 0.68 PTPRC (0.59) HSD17B10KMT2AMEN1NPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721210-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS OR INTEGRIN RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-02-24 US disclosed
EP-0538399-A4 1994-05-04 EP disclosed
EP-0538399-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1993-04-28 EP disclosed
US-5192746-A Cyclized integrin receptor antagonist compounds including adhesion to fibronectins, oligopeptides TANABE SEIYAKU CO., LTD. (JP) 1993-03-09 US disclosed
WO-1992000995-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO. LTD. (JP) 1992-01-23 WO disclosed