SCHEMBL6980417

SCHEMBL6980417

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 4/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
FFAR1 O14842 1/20 0.35
ALOX15 P16050 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL6981028 0.89 NPC1 (0.48) PTGER4TSHRALDH1A1MEN1KMT2A
SCHEMBL6984361 0.89 PTGER4 (0.39) PTGER4TSHRALDH1A1MEN1KMT2A
SCHEMBL6979414 0.86 LTB4R2 (0.40) PTGER4TSHRALDH1A1MEN1KMT2A
SCHEMBL6986544 0.86 PTGER4 (0.39) PTGER4TSHRALDH1A1MEN1KMT2A
SCHEMBL6977399 0.86 PTGER4 (0.42) PTGER4TSHRALDH1A1MEN1KMT2A
SCHEMBL6983537 0.86 PTGER4 (0.38) PTGER4TSHRALDH1A1MEN1KMT2A
SCHEMBL7407027 0.83 AR (0.39) PTGER4TSHRALDH1A1MEN1KMT2A
SCHEMBL7409214 0.83 PTGER4 (0.38) PTGER4SMN1; SMN2MAPTNPC1MAPK1
SCHEMBL6977743 0.83 PTGER4 (0.46) PTGER4TSHRALDH1A1MEN1KMT2A
SCHEMBL6979177 0.82 CCR5 (0.39) PTGER4TSHRALDH1A1MEN1KMT2A

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