SCHEMBL8729938

SCHEMBL8729938

CC(C)(N)CCN.O=C1NCN(c2ccccc2)C12CCNCC2

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.72
SLC6A9 P48067 2/20 0.55
OPRL1 P41146 11/20 0.51
OPRM1 P35372 10/20 0.51
OPRD1 P41143 10/20 0.51
OPRK1 P41145 10/20 0.51

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
SCHEMBL7587764 0.85 HSD17B10 (1.00) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL219618 0.85 HSD17B10 (1.00) HSD17B10SLC6A9OPRL1OPRM1OPRD1
Ammonia Solution, Strong SCHEMBL1764035 0.84 HSD17B10 (0.97) HSD17B10SLC6A9OPRL1OPRM1OPRD1
Hydrochloric Acid SCHEMBL6160546 0.84 HSD17B10 (0.97) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL8729927 0.83 HSD17B10 (0.67) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL8729930 0.79 HSD17B10 (0.67) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL11878143 0.76 HSD17B10 (0.68) HSD17B10SLC6A9OPRL1OPRM1OPRD1
Ammonia Solution, Strong SCHEMBL8729935 0.75 HSD17B10 (0.74) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL5556794 0.74 HSD17B10 (0.73) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL5962569 0.74 SLC6A9 (0.73) HSD17B10SLC6A9OPRL1OPRM1OPRD1

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