SCHEMBL6985399

SCHEMBL6985399

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
USP14 P54578 1/20 0.34
PTGER4 P35408 2/20 0.34
YAP1 P46937 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34

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 0.87 L3MBTL1 (0.38) NOTUML3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL6980758 0.86 NOTUM (0.42) NOTUML3MBTL1AVPR2OXTRAVPR1A
SCHEMBL6987767 0.85 TP53 (0.42) L3MBTL1GAAALDH1A1USP2LMNA
SCHEMBL6985613 0.85 CCR5 (0.37) NOTUML3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL7958945 0.85 PDK1 (0.41) NOTUMAVPR2OXTRAVPR1APDK1
SCHEMBL6981987 0.84 PTGER4 (0.38) AVPR2OXTRAVPR1ASMN1; SMN2NPC1
SCHEMBL6979151 0.84 USP14 (0.35) NOTUML3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL6986000 0.82 NR3C1 (0.36) NOTUML3MBTL1AVPR2OXTRAVPR1A
SCHEMBL6986008 0.81 MEN1 (0.39) AVPR2OXTRAVPR1ASMN1; SMN2NPC1
SCHEMBL6981595 0.80 LTB4R2 (0.46) AVPR2OXTRAVPR1ASMN1; SMN2NPC1

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