SCHEMBL6980994

SCHEMBL6980994

N#Cc1ccc(CCC(=O)N2CCCc3cccc(NCc4ccccc4)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
ATM Q13315 1/20 0.39
FFAR1 O14842 1/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38
CACNA1B Q00975 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6983538 0.91 FFAR1 (0.41) RXRARXRBRXRGHDAC6FFAR1
SCHEMBL6983660 0.88 PTGER4 (0.40) FPR1FPR2NPC1TSHRMEN1
SCHEMBL7407513 0.88 RAB9A (0.44) FFAR1FPR1FPR2TSHRMEN1
SCHEMBL6986817 0.87 THRB (0.42) HDAC6ATMFPR1FPR2TSHR
SCHEMBL6986437 0.86 PTGER4 (0.41) HDAC6ATMFFAR1FPR1FPR2
SCHEMBL6985566 0.86 PARP14 (0.40) ATMFPR1FPR2NPC1TDP1
SCHEMBL6985381 0.86 MMP1 (0.45) HDAC6ATMFPR1FPR2KMT2A
SCHEMBL6985322 0.84 GAA (0.41) FPR1FPR2NPC1TSHRMEN1
SCHEMBL6985295 0.84 MAPT (0.45) FPR1FPR2MEN1ALDH1A1KMT2A
SCHEMBL6976287 0.83 NOTUM (0.38) HDAC6ATMFPR1FPR2NPC1

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