SCHEMBL6979172

SCHEMBL6979172

N#Cc1ccc(CCC(=O)N2CCCc3cccc(N(CC(=O)O)Cc4ccccc4)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
MEP1B Q16820 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
NPC1 O15118 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 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
SCHEMBL6977076 0.90 RORC (0.41) KDM1AMEP1BALDH1A1HSD17B10FPR1
SCHEMBL6984169 0.90 KDM1A (0.38) KDM1AMEP1BALDH1A1NPC1FPR1
SCHEMBL7090381 0.90 TP53 (0.38) KDM1AMEP1BTSHRALDH1A1HPGD
SCHEMBL6982692 0.89 L3MBTL1 (0.38) KDM1AMEP1BTSHRALDH1A1NPC1
SCHEMBL6980097 0.89 KDM1A (0.37) KDM1AMEP1BTSHRALDH1A1MEN1
SCHEMBL6986002 0.88 RXRA (0.45) KDM1ATSHRALDH1A1MEN1USP2
SCHEMBL6986008 0.87 MEN1 (0.39) TSHRALDH1A1MEN1USP2HPGD
SCHEMBL6987632 0.85 ALDH1A1 (0.39) TSHRALDH1A1MEN1USP2HPGD
SCHEMBL6979167 0.82 KDM1A (0.47) KDM1ATSHRALDH1A1MEN1USP2
SCHEMBL6981595 0.82 LTB4R2 (0.46) TSHRALDH1A1MEN1USP2HPGD

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