SCHEMBL6611549

SCHEMBL6611549

O=C1CNC(=O)C2(CCN(c3ccccc3)CC2)N1CC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.45
OPRD1 P41143 16/20 0.45
OPRK1 P41145 16/20 0.45
OPRL1 P41146 16/20 0.45
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 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
SCHEMBL6614791 0.86 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL6035572 0.85 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6012562 0.84 OPRL1 (0.52) OPRM1OPRD1OPRK1OPRL1ADRB1
SCHEMBL6615053 0.83 OPRL1 (0.55) OPRM1OPRD1OPRK1OPRL1ADRB1
SCHEMBL6012396 0.82 DRD2 (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6612492 0.81 HTR1A (0.46) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL6612337 0.81 LMNA (0.48) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL6614708 0.79 CCR5 (0.47) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL6613155 0.78 CCR5 (0.51) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL6612060 0.78 PIN1 (0.42) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed