SCHEMBL19712498

SCHEMBL19712498

N[C@@]1(C=O)C=CCc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL20856010 1.00 HTR2A (0.31) HTR2AKDM1A
SCHEMBL28968707 0.75
SCHEMBL20136578 0.72 THRB (0.34)
SCHEMBL20637019 0.67 MEN1 (0.35)
SCHEMBL18440513 0.67 KDM1A (0.33) HTR2AKDM1A
SCHEMBL7633110 0.67 HTR2A (0.39) HTR2AKDM1A
SCHEMBL15667198 0.66 THRB (0.37)
SCHEMBL28578547 0.64
Bicarbonate SCHEMBL18663313 0.64 LMNA (0.35) HTR2A
SCHEMBL12506765 0.64 HTR2A (0.37) HTR2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354727-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2020-10-07 EP claimed
EP-2385983-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2017-12-20 EP claimed