SCHEMBL3394399

SCHEMBL3394399

CCc1n[nH]c(CC)c1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.58
TAS1R1 Q7RTX1 6/20 0.58
TAS1R2 Q8TE23 5/20 0.58
RECQL P46063 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 2/20 0.54
P2RX7 Q99572 1/20 0.53
TSHR P16473 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL6510673 0.78 P2RX7 (0.69) TAS1R3TAS1R1TAS1R2RECQLNPC1
SCHEMBL3391180 0.78 P2RX7 (0.69) TAS1R3TAS1R1TAS1R2RECQLNPC1
SCHEMBL20860900 0.77 TAS1R3 (0.76) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL701434 0.74 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL701435 0.74 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL14335326 0.74 TAS1R3 (0.71) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL14335704 0.74 TAS1R3 (0.71) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL14335714 0.74 TAS1R3 (0.71) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL20990440 0.72 ALDH1A1 (0.74) HTTTSHRALDH1A1LMNA
SCHEMBL659023 0.72 ALDH1A1 (0.74) HTTTSHRALDH1A1LMNA

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-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed