SCHEMBL7992809

SCHEMBL7992809

COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3c(OC)ccc4ccccc34)CC2)C1=O

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.75
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
OPRM1 P35372 11/20 0.54
OPRK1 P41145 10/20 0.54
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BDKRB2 P30411 1/20 0.48
OPRD1 P41143 10/20 0.48
NPC1L1 Q9UHC9 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 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
SCHEMBL7982648 0.89 OPRL1 (0.77) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7982598 0.86 OPRL1 (0.77) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL29766745 0.86 OPRL1 (1.00) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7757872 0.86 OPRL1 (1.00) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7982285 0.84 OPRL1 (0.69) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7999841 0.82 OPRL1 (0.69) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL29789407 0.82 MEN1 (1.00) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7992840 0.82 MEN1 (1.00) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7757095 0.81 OPRL1 (0.83) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7992799 0.81 OPRL1 (0.75) 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