SCHEMBL6983537

SCHEMBL6983537

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
MLYCD O95822 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
YAP1 P46937 1/20 0.35
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34
TSHR P16473 3/20 0.34
NOTUM Q6P988 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 3/20 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
SCHEMBL6984361 0.89 PTGER4 (0.39) PTGER4NPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6981028 0.88 NPC1 (0.48) PTGER4NPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6979414 0.86 LTB4R2 (0.40) PTGER4NPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6980417 0.86 PTGER4 (0.39) PTGER4NPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6985248 0.83 MAPT (0.42) PTGER4NPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6986544 0.81 PTGER4 (0.39) PTGER4NPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6977399 0.79 PTGER4 (0.42) PTGER4NPC1MAPTSMN1; SMN2MAPK1
SCHEMBL7409214 0.79 PTGER4 (0.38) PTGER4NPC1MAPTSMN1; SMN2MAPK1
SCHEMBL6977743 0.78 PTGER4 (0.46) PTGER4MAPTMEN1KMT2AFPR1
SCHEMBL6985399 0.78 NOTUM (0.36) PTGER4NPC1MAPTSMN1; SMN2MAPK1

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