SCHEMBL23940468

SCHEMBL23940468

OC[C@@H](O)C(S)[C@@H]1CCc2cc(F)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.62
HTR2A P28223 3/20 0.62
HTR1A P08908 2/20 0.62
HTR2C P28335 2/20 0.62
MLNR O43193 1/20 0.62
ADRB2 P07550 1/20 0.62
ADRB1 P08588 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
KCNE1 P15382 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
CNR1 P21554 1/20 0.62
SLC6A2 P23975 1/20 0.62
NPY1R P25929 1/20 0.62
AVPR2 P30518 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62

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
SCHEMBL20006783 1.00 DRD2 (0.62) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL23940668 0.90 DRD2 (0.59) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL24317236 0.87 HTR1A (0.64) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL23940467 0.85 DRD2 (0.62) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL20006756 0.85 DRD2 (0.62) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL2287663 0.84 DRD2 (0.76) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL19988042 0.84 DRD2 (0.76) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL2282050 0.84 DRD2 (0.76) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL2256343 0.84 DRD2 (0.76) DRD2HTR2AHTR1AHTR2CMLNR
SCHEMBL12291636 0.84 DRD2 (0.76) DRD2HTR2AHTR1AHTR2CMLNR

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
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP disclosed