SCHEMBL1745116

SCHEMBL1745116

CNc1cccnc1NCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.47
LDHA P00338 1/20 0.47
PKM P14618 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
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
GRM4 Q14833 2/20 0.41
CYP2C19 P33261 2/20 0.41
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL1744464 0.81 KDM4E (0.54) UTS2RALDH1A1KDM4ELMNACYP3A4
SCHEMBL1746875 0.80 KDM4E (0.44) ALDH1A1KDM4ELMNAHSD17B10HTT
SCHEMBL1744805 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HTT
SCHEMBL1255125 0.79 UTS2R (0.48) UTS2RLDHAPKMCACNA1BAPBA1
SCHEMBL1746368 0.78 GRM5 (0.49) UTS2RALDH1A1KDM4ELMNACYP1A2
SCHEMBL1746376 0.77 UTS2R (0.47) UTS2RALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL1746874 0.77 CYP2C19 (0.53) MEN1KMT2ACYP2C19POLBNCF1
SCHEMBL14715661 0.77 GRM5 (0.38) ALDH1A1KDM4ELMNAHSD17B10TLR7
SCHEMBL23133100 0.76 UTS2R (0.40) UTS2RALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL317692 0.76 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