SCHEMBL10140605

SCHEMBL10140605

CCC(=O)[C@H](N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
LMNA P02545 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD11B1 P28845 1/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL13048838 1.00 ALDH1A1 (0.49) ALDH1A1CYP1A2LMNAADRA2AADRA2C
SCHEMBL8353716 1.00 ALDH1A1 (0.49) ALDH1A1CYP1A2LMNAADRA2AADRA2C
SCHEMBL17662333 0.82 ESR1 (0.47) ALDH1A1CYP1A2LMNAADRA2AADRA2C
SCHEMBL27577102 0.80 ALDH1A1 (0.33) ALDH1A1CYP1A2
SCHEMBL19808770 0.80 ADRB2 (0.47) CYP1A2LMNACYP2D6GABBR2GABBR1
SCHEMBL28154640 0.80 AOC3 (0.41) ALDH1A1LMNAGABBR2GABBR1
SCHEMBL10711299 0.80 MTNR1A (0.44) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL3838000 0.79 ALDH1A1 (0.43) ALDH1A1CYP1A2LMNAHIF1AHSD11B1
SCHEMBL15667992 0.79 HSD11B1 (0.42) CYP1A2LMNAHSD11B1GRM2GRM3
SCHEMBL23812210 0.79 HSD11B1 (0.42) LMNAADRA2AADRA2CHIF1AKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2013052362-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed