SCHEMBL8729930

SCHEMBL8729930

CC(C)CCNN.O=C1NCN(c2ccccc2)C12CCNCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
OPRL1 P41146 10/20 0.57
OPRM1 P35372 9/20 0.57
OPRD1 P41143 9/20 0.57
OPRK1 P41145 9/20 0.57
SLC6A9 P48067 2/20 0.47
PLD1 Q13393 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL219618 0.82 HSD17B10 (1.00) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL7587764 0.82 HSD17B10 (1.00) HSD17B10OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6160546 0.81 HSD17B10 (0.97) HSD17B10OPRL1OPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL1764035 0.81 HSD17B10 (0.97) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL8729927 0.80 HSD17B10 (0.67) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL8729938 0.79 HSD17B10 (0.72) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL5247064 0.75 OPRM1 (0.78) OPRL1OPRM1OPRD1OPRK1PLD1
SCHEMBL11932466 0.74 OPRM1 (0.72) OPRL1OPRM1OPRD1OPRK1SLC6A9
Ammonia Solution, Strong SCHEMBL8729935 0.73 HSD17B10 (0.74) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL5556794 0.72 HSD17B10 (0.73) HSD17B10OPRL1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed