SCHEMBL6977076

SCHEMBL6977076

N#Cc1ccc(CCC(=O)N2CCCc3cccc(N(CC(=O)Nc4ccccc4)Cc4ccccc4)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
KDM1A O60341 1/20 0.40
POLB P06746 2/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
MEP1B Q16820 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
EP300 Q09472 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
SCHEMBL7090381 0.91 TP53 (0.38) RORCKDM1AFPR1FPR2MEP1B
SCHEMBL6984169 0.91 KDM1A (0.38) RORCKDM1AFPR1FPR2MEP1B
SCHEMBL6979172 0.90 KDM1A (0.41) KDM1AFPR1FPR2MEP1BALDH1A1
SCHEMBL6982692 0.87 L3MBTL1 (0.38) KDM1AMEP1BALDH1A1MAPTSMN1; SMN2
SCHEMBL6980097 0.86 KDM1A (0.37) RORCKDM1AFPR1FPR2MEP1B
SCHEMBL6977074 0.84 KDM1A (0.45) RORCKDM1APOLBFPR1FPR2
SCHEMBL6986002 0.83 RXRA (0.45) RORCKDM1AALDH1A1MAPTSMN1; SMN2
SCHEMBL6986008 0.82 MEN1 (0.39) RORCFPR1FPR2ALDH1A1MAPT
SCHEMBL6987632 0.81 ALDH1A1 (0.39) RORCPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL6981595 0.80 LTB4R2 (0.46) ALDH1A1MAPTSMN1; SMN2HSD17B10

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