SCHEMBL6979151

SCHEMBL6979151

CCOC(=O)CN(c1cccc2c1N(C(=O)CCc1ccc(C#N)cc1)CCC2)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 2/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PARP1 P09874 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33

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
SCHEMBL6979149 0.87 PARP1 (0.40) USP14NOTUMALDH1A1PARP1RAB9A
SCHEMBL6979942 0.85 TSHR (0.38) ALDH1A1PARP1RAB9ANPC1MAPT
SCHEMBL6982692 0.85 L3MBTL1 (0.38) USP14NOTUMALDH1A1RAB9ANPC1
SCHEMBL6985399 0.84 NOTUM (0.36) USP14NOTUMALDH1A1RAB9ANPC1
SCHEMBL6987767 0.83 TP53 (0.42) ALDH1A1USP2HSD17B10L3MBTL1GAA
SCHEMBL6985613 0.83 CCR5 (0.37) USP14NOTUMALDH1A1RAB9ANPC1
SCHEMBL6986000 0.81 NR3C1 (0.36) USP14NOTUMALDH1A1RAB9ANPC1
SCHEMBL6980758 0.81 NOTUM (0.42) USP14NOTUMALDH1A1RAB9ANPC1
SCHEMBL6984734 0.80 AVPR2 (0.36) ALDH1A1PARP1RAB9ANPC1MAPT
SCHEMBL6977212 0.78 TRPM8 (0.39) USP14NOTUMALDH1A1RAB9ANPC1

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed