SCHEMBL6985613

SCHEMBL6985613

CCOC(=O)CN(CC(c1ccccc1)c1ccccc1)c1cccc2c1N(C(=O)CCc1ccc(C#N)cc1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.37
NOTUM Q6P988 1/20 0.35
PTGER4 P35408 1/20 0.35
YAP1 P46937 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
USP14 P54578 1/20 0.34
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
EP300 Q09472 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
DPP4 P27487 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
SCHEMBL6982692 0.90 L3MBTL1 (0.38) NOTUMYAP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL6985609 0.85 NOTUM (0.39) CCR5NOTUMYAP1SMN1; SMN2NPC1
SCHEMBL6985399 0.85 NOTUM (0.36) NOTUMPTGER4YAP1L3MBTL1SMN1; SMN2
SCHEMBL6987767 0.84 TP53 (0.42) L3MBTL1ALDH1A1USP2LMNAHSD17B10
SCHEMBL6979151 0.83 USP14 (0.35) NOTUMYAP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL6980758 0.82 NOTUM (0.42) NOTUMPTGER4L3MBTL1SMN1; SMN2NPC1
SCHEMBL6986000 0.81 NR3C1 (0.36) NOTUML3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL6979172 0.79 KDM1A (0.41) SMN1; SMN2NPC1MAPTMAPK1RAB9A
SCHEMBL6980097 0.79 KDM1A (0.37) PTGER4SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL6984169 0.79 KDM1A (0.38) PTGER4YAP1SMN1; SMN2NPC1MAPT

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