SCHEMBL7085010

SCHEMBL7085010

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.44
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
GNRHR P30968 1/20 0.36
EP300 Q09472 7/20 0.35
HAT1 O14929 4/20 0.35
GRM7 Q14831 3/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7964635 0.84 TP53 (0.47) EP300HAT1GRM7MEN1USP2
SCHEMBL6977743 0.83 PTGER4 (0.46) PTGER4FPR1FPR2MEN1USP2
SCHEMBL6977399 0.81 PTGER4 (0.42) PTGER4FPR1FPR2MEN1USP2
SCHEMBL6983660 0.80 PTGER4 (0.40) PTGER4FPR1FPR2EP300GRM7
SCHEMBL6985248 0.79 MAPT (0.42) PTGER4FPR1FPR2MEN1USP2
SCHEMBL6980417 0.78 PTGER4 (0.39) PTGER4FPR1FPR2MEN1USP2
SCHEMBL6979727 0.77 TSHR (0.40) PTGER4FPR1FPR2MEN1USP2
SCHEMBL6981829 0.77 POLB (0.39) PTGER4FPR1FPR2MEN1USP2
SCHEMBL6985381 0.77 MMP1 (0.45) PTGER4FPR1FPR2KMT2A
SCHEMBL6984361 0.76 PTGER4 (0.39) PTGER4FPR1FPR2MEN1USP2

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