SCHEMBL7999841

SCHEMBL7999841

COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3ccc(OC)c(OC)c3OC)CC2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.69
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
OPRM1 P35372 6/20 0.56
OPRK1 P41145 5/20 0.56
OPRD1 P41143 5/20 0.51
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
BDKRB2 P30411 1/20 0.50
NPC1L1 Q9UHC9 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
DRD4 P21917 3/20 0.46

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
SCHEMBL7992799 0.93 OPRL1 (0.75) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7982285 0.91 OPRL1 (0.69) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7982598 0.89 OPRL1 (0.77) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7994253 0.85 OPRL1 (0.64) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7992852 0.83 OPRL1 (0.77) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7992822 0.83 OPRL1 (0.77) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7996566 0.83 OPRL1 (0.70) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7992809 0.82 OPRL1 (0.75) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7757872 0.82 OPRL1 (1.00) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL29766745 0.82 OPRL1 (1.00) OPRL1MEN1KMT2ACYP3A4CYP2D6

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