SCHEMBL7999901

SCHEMBL7999901

N=C(N)NCCC[C@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.62
OPRM1 P35372 3/20 0.47
OPRD1 P41143 3/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
OPRK1 P41145 2/20 0.47
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1L1 Q9UHC9 12/20 0.43
DRD4 P21917 1/20 0.42
DDR1 Q08345 2/20 0.42

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
SCHEMBL7999893 1.00 OPRL1 (0.62) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7758850 0.96 OPRL1 (0.62) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7758844 0.96 OPRL1 (0.62) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7760247 0.96 OPRL1 (0.62) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7758917 0.92 OPRL1 (0.58) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7758921 0.92 OPRL1 (0.58) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7757029 0.92 OPRL1 (0.57) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7757040 0.92 OPRL1 (0.57) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7994124 0.91 OPRL1 (0.63) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL7757070 0.90 OPRL1 (0.68) OPRL1OPRM1OPRD1DRD2DRD3

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
US-6277991-B1 FOR TREATMENT OF MIGRAINE, NON-INSULIN DEPENDENT DIABETES MELLITUS, SEPSIS, INFLAMMATION, INCONTINENCE, VASOMOTOR DISTURBANCES SUCH AS HOT FLUSHES OR HOT FLASHES NOVO NORDISK A/S (DK) 2001-08-21 US disclosed