SCHEMBL8829484

SCHEMBL8829484

CC1(C)c2ccccc2[C@H](O)[C@@H]1N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
OPRM1 P35372 3/20 0.39
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL8829487 1.00 HTR2A (0.41) HTR2AOPRM1TP53KMT2AOPRD1
SCHEMBL8829485 1.00 HTR2A (0.41) HTR2AOPRM1TP53KMT2AOPRD1
SCHEMBL2392890 0.88 HTR2A (0.39) HTR2AOPRM1KMT2AOPRD1OPRK1
SCHEMBL14101489 0.79 HTR2A (0.37) HTR2AKMT2A
SCHEMBL15717675 0.79 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL15717673 0.79 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL15717672 0.79 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL3369554 0.79 HTR2A (0.37) HTR2AKMT2A
SCHEMBL28546015 0.77 HTR2A (0.42) HTR2AOPRM1KMT2A
SCHEMBL15630885 0.75 HTR2A (0.41) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9059265-A None JP disclosed
CN-102659706-A Preparation and synthetic methodof chiral oxazoline MEI LUO 2012-09-12 CN disclosed
JP-H0959265-A OPTICALLY ACTIVE OXAZOLIDINONE, ITS PRODUCTION PRODUCING INTERMEDIATE THEREOF AND UTILIZATION AS ASYMMETRIC AUXILIARY GROUP SAIGO KAZUHIKO 1997-03-04 JP disclosed
JP-H00959265-A 0001-01-01 JP disclosed