SCHEMBL6983660

SCHEMBL6983660

N#Cc1ccc(CCC(=O)N2CCCc3cccc(NCC(c4ccccc4)c4ccccc4)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
GRM7 Q14831 3/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EP300 Q09472 5/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
YAP1 P46937 1/20 0.36
CCR2 P41597 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
SCHEMBL6980994 0.88 RXRA (0.43) PTGER4FPR1FPR2NPC1MAPT
SCHEMBL6986437 0.84 PTGER4 (0.41) PTGER4FPR1FPR2NPC1MAPT
SCHEMBL6985381 0.84 MMP1 (0.45) PTGER4FPR1FPR2RAB9AKMT2A
SCHEMBL6983538 0.83 FFAR1 (0.41) PTGER4FPR1FPR2NPC1MAPT
SCHEMBL6986817 0.83 THRB (0.42) FPR1FPR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL6985566 0.82 PARP14 (0.40) PTGER4FPR1FPR2NPC1MAPT
SCHEMBL6983653 0.82 FPR1 (0.44) FPR1FPR2GRM7NPC1MAPT
SCHEMBL6985322 0.82 GAA (0.41) FPR1FPR2NPC1MAPTRAB9A
SCHEMBL7407513 0.82 RAB9A (0.44) PTGER4FPR1FPR2MAPTRAB9A
SCHEMBL6976287 0.81 NOTUM (0.38) PTGER4FPR1FPR2NPC1MAPT

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