SCHEMBL6986544

SCHEMBL6986544

CCN(CC)C(=O)c1cccc2c1N(C(=O)CCc1ccc(C#N)cc1)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
AVPR2 P30518 2/20 0.36
OXTR P30559 2/20 0.36
AVPR1A P37288 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6984361 0.88 PTGER4 (0.39) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL6980417 0.86 PTGER4 (0.39) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL6979177 0.85 CCR5 (0.39) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL6985248 0.85 MAPT (0.42) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL6981429 0.84 F2 (0.40) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL7409214 0.84 PTGER4 (0.38) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL6979414 0.84 LTB4R2 (0.40) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL7405737 0.83 PTGER4 (0.40) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL6981028 0.83 NPC1 (0.48) PTGER4MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL6977399 0.83 PTGER4 (0.42) PTGER4MAPTSMN1; SMN2NPC1MAPK1

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