SCHEMBL3635503

SCHEMBL3635503

CC(C)COC(=O)N1CCC(=C(C#N)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MGLL Q99685 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3635501 0.82 SCD5 (0.48) HSD17B10ALDH1A1HPGDNPC1LMNA
SCHEMBL13984721 0.82 KMT2A (0.45) HSD17B10TSHRALDH1A1HPGDNPC1
SCHEMBL2847196 0.77 NPC1 (0.44) HSD17B10TSHRALDH1A1HPGDNPC1
SCHEMBL3637345 0.73 MGLL (0.48) TSHRALDH1A1HPGDNPC1RAB9A
SCHEMBL3727736 0.71 KMT2A (0.41) HSD17B10ADRB2ADRB1ADRB3TSHR
SCHEMBL20408678 0.68 MGLL (0.51) HSD17B10ALDH1A1HPGDNPC1RAB9A
SCHEMBL4694192 0.66 CRHBP (0.77) ALDH1A1HPGDLMNAKDM4ECYP1A2
SCHEMBL4694193 0.66 CRHBP (0.77) ALDH1A1HPGDLMNAKDM4ECYP1A2
SCHEMBL11373237 0.66 ALDH1A1 (0.44) HSD17B10TSHRALDH1A1HPGDNPC1
SCHEMBL11373238 0.66 ALDH1A1 (0.44) HSD17B10TSHRALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167466-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR Glaxo Group Limited (GB) 2010-03-31 EP disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed