SCHEMBL6977072

SCHEMBL6977072

N#Cc1ccc(CCC(=O)N2CCCc3cc(NCc4ccccc4C(C(N)=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
EP300 Q09472 3/20 0.38
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 1/20 0.36
GRM7 Q14831 2/20 0.36
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 1/20 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
SCHEMBL6976631 0.84 HSD17B3 (0.46) FPR1FPR2TP53MEN1KMT2A
SCHEMBL6985994 0.83 POLB (0.43) FPR1FPR2TP53MEN1KMT2A
SCHEMBL6983653 0.83 FPR1 (0.44) FPR1FPR2EP300TP53MEN1
SCHEMBL6979870 0.82 RAB9A (0.44) FPR1FPR2TP53MEN1KMT2A
SCHEMBL7090378 0.82 TP53 (0.47) FPR1FPR2TP53MEN1KMT2A
SCHEMBL6976871 0.80 FFAR1 (0.49) FPR1FPR2TP53MEN1KMT2A
SCHEMBL6984100 0.79 TP53 (0.41) FPR1FPR2TP53MEN1KMT2A
SCHEMBL6981983 0.78 RAB9A (0.46) FPR1FPR2TP53MEN1KMT2A
SCHEMBL6980091 0.78 TP53 (0.40) FPR1FPR2TP53MEN1KMT2A
SCHEMBL6986003 0.77 RAB9A (0.48) FPR1FPR2TP53MEN1KMT2A

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 2 patents. 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
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed