SCHEMBL1745114

SCHEMBL1745114

C[N]c1cccnc1NCCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.46
LDHA P00338 1/20 0.46
PKM P14618 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
GRM4 Q14833 2/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
HTT P42858 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
SCHEMBL1744463 0.82 ALDH1A1 (0.53) UTS2RALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL1744803 0.81 KDM4E (0.41) ALDH1A1CYP1A2HSD17B10KDM4ETLR7
SCHEMBL1746872 0.81 KDM4E (0.43) ALDH1A1LMNAHSD17B10KDM4EPOLB
SCHEMBL1746367 0.78 GRM5 (0.41) UTS2RALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL1746870 0.78 CYP2C19 (0.51) HSD17B10MEN1KMT2ACYP2C19POLB
SCHEMBL1746375 0.78 UTS2R (0.46) UTS2RALDH1A1LMNACYP1A2HSD17B10
SCHEMBL1255125 0.78 UTS2R (0.48) UTS2RLDHAPKMCACNA1BAPBA1
SCHEMBL1745116 0.76 UTS2R (0.47) UTS2RLDHAPKMCACNA1BAPBA1
SCHEMBL317692 0.75 UTS2R (0.46) UTS2RLDHAPKMCACNA1BAPBA1
SCHEMBL317693 0.75 UTS2R (0.46) UTS2RLDHAPKMCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP disclosed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US disclosed