SCHEMBL8775423

SCHEMBL8775423

CC(=O)OC1CN([C@H](C)c2ccccc2)CC12CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
OPRL1 P41146 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
CYP2D6 P10635 5/20 0.41
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MC4R P32245 1/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8775418 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8775479 0.76 CYP2D6 (0.49) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL374064 0.76 CYP2D6 (0.49) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL28414488 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28417011 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28417009 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28414490 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28414486 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3187502 0.74 CYP2D6 (0.49) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL13483618 0.74 CYP2D6 (0.49) OPRL1OPRM1OPRD1OPRK1CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed