SCHEMBL6986981

SCHEMBL6986981

N#Cc1ccc(CCC(=O)N2CCCc3cccc(S(=O)(=O)Nc4ccccc4)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.40
GAA P10253 2/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR3C1 P04150 1/20 0.38
AR P10275 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
FAAH O00519 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
PKLR P30613 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
SCHEMBL6985295 0.89 MAPT (0.45) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL6983751 0.86 NR3C1 (0.40) GAAFPR1FPR2ALDH1A1MEN1
SCHEMBL6985322 0.84 GAA (0.41) GAAFPR1FPR2ALDH1A1MEN1
SCHEMBL6977890 0.84 SLC16A3 (0.46) GAAALDH1A1MEN1KMT2ADPP8
SCHEMBL6986976 0.82 ADRB2 (0.58) ALDH1A1MEN1KMT2ANR3C1ADRB2
SCHEMBL6985566 0.82 PARP14 (0.40) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL7407027 0.80 AR (0.39) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL7960284 0.80 NR3C1 (0.47) MEN1KMT2ANR3C1SMN1; SMN2
SCHEMBL6977885 0.80 NR3C1 (0.48) NR3C1SMN1; SMN2
SCHEMBL6977631 0.79 BRD4 (0.56) NR3C1SMN1; SMN2

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 3 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
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed