SCHEMBL8104624

SCHEMBL8104624

Cc1c(CN(CC(=O)OCc2ccccc2)c2cccc(C#N)c2)ncn1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
ABCB1 P08183 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSPO P30536 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAOB P27338 1/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8104391 0.88 MAOB (0.34) ABCB1FNTAFNTBFFAR1FFAR4
SCHEMBL8104607 0.85 RORC (0.36) RORCABCB1FNTAFNTBMEN1
SCHEMBL8113481 0.79 RORC (0.37) RORCALDH1A1LMNAHTT
SCHEMBL8113743 0.78 FNTA (0.39) FNTAFNTBPGGT1BFFAR1FFAR4
SCHEMBL8114528 0.74 FFAR1 (0.38) FNTAFNTBMEN1KMT2AFFAR1
SCHEMBL8114598 0.73 F2 (0.41) RORCALDH1A1LMNAHTT
SCHEMBL8120737 0.72 MAOB (0.35) ABCB1FNTAFNTBFFAR1FFAR4
SCHEMBL8114479 0.72 TSPO (0.48) KMT2ATSPOFFAR1FFAR4MAOB
SCHEMBL8104627 0.70 POLB (0.38) MEN1KMT2ANPSR1
SCHEMBL8104610 0.69 POLB (0.35) RORCABCB1MEN1KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed