SCHEMBL7587764

SCHEMBL7587764

O=C1NCN(c2ccccc2)C12CCNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 1.00
OPRL1 P41146 7/20 0.62
OPRM1 P35372 6/20 0.62
OPRD1 P41143 5/20 0.62
OPRK1 P41145 5/20 0.62
SLC6A9 P48067 1/20 0.59
SLC18A3 Q16572 1/20 0.56

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 1.00 HSD17B10 (1.00) HSD17B10OPRL1OPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL1764035 0.98 HSD17B10 (0.97) HSD17B10OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6160546 0.98 HSD17B10 (0.97) HSD17B10OPRL1OPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL8729935 0.86 HSD17B10 (0.74) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL2539061 0.85 OPRM1 (0.77) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL8729938 0.85 HSD17B10 (0.72) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL11880961 0.84 HSD17B10 (0.73) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL11593274 0.84 HSD17B10 (0.73) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL318959 0.84 HSD17B10 (0.73) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL3068674 0.84 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-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed