SCHEMBL14879164

SCHEMBL14879164

CN1C[C@@H]2C[C@@H]1CN2C(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ CHRM2 P08172 5/20 0.43
▸ CHRM4 P08173 5/20 0.43
▸ CHRM5 P08912 5/20 0.43
▸ CHRM1 P11229 5/20 0.43
▸ CHRM3 P20309 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ CHRNA7 P36544 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL825143 1.00 KDM4E (0.48) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL13388314 0.90 CHRM2 (0.42) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL10263182 0.88 KDM4E (0.51) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL13379419 0.87 CHRM2 (0.41) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL15958552 0.75 KDM4E (0.56) KDM4ECHRM1LMNAGAACYP2D6
SCHEMBL14477939 0.74 KDM4E (0.51) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL18526734 0.72 KDM4E (0.50) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL31008738 0.72 TP53 (0.37) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL31009076 0.72 TP53 (0.37) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL31009097 0.72 TP53 (0.37) KDM4ECHRM2CHRM4CHRM5CHRM1

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-2242750-B1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-04-24 — — EP disclosed
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