SCHEMBL6981987

SCHEMBL6981987

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.38
PGR P06401 1/20 0.38
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 2/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
AVPR2 P30518 2/20 0.36
OXTR P30559 2/20 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
SCHEMBL6984810 0.92 PTGER4 (0.38) PTGER4FPR1FPR2AVPR2OXTR
SCHEMBL6984734 0.86 AVPR2 (0.36) PTGER4PGRFPR1FPR2SMN1; SMN2
SCHEMBL6986002 0.86 RXRA (0.45) PTGER4SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL6986115 0.86 ITGB3 (0.40) PTGER4SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL6977636 0.85 ALDH1A1 (0.42) SMN1; SMN2NPC1MAPTMAPK1RAB9A
SCHEMBL6985399 0.84 NOTUM (0.36) PTGER4SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL6986008 0.84 MEN1 (0.39) PTGER4FPR1FPR2SMN1; SMN2NPC1
SCHEMBL6979942 0.84 TSHR (0.38) PTGER4FPR1FPR2SMN1; SMN2NPC1
SCHEMBL6987632 0.82 ALDH1A1 (0.39) SMN1; SMN2NPC1MAPTMAPK1RAB9A
SCHEMBL6977399 0.82 PTGER4 (0.42) PTGER4FPR1FPR2SMN1; 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