SCHEMBL30909174

SCHEMBL30909174

c1ccc2c(c1)ccn2C1CCN2CCCCC2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.56
OPRD1 P41143 4/20 0.56
OPRK1 P41145 4/20 0.56
OPRL1 P41146 3/20 0.56
DRD2 P14416 1/20 0.50
SLC6A4 P31645 1/20 0.50
ABCB1 P08183 1/20 0.45
SCD O00767 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR6 P50406 2/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MBTD1 Q05BQ5 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6775059 0.96 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL30909064 0.96 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3640167 0.81 DRD2 (0.59) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL2424591 0.80 DRD2 (0.58) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL12605572 0.78 DRD2 (0.59) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL7570882 0.77 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL6742428 0.77 HTR7 (0.50) OPRM1OPRD1OPRK1OPRL1HTR7
SCHEMBL7569682 0.77 HRH3 (0.40) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL17222489 0.77 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL15856596 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD2

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
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed