SCHEMBL29622997

SCHEMBL29622997

OC1CCCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
SLC18A3 Q16572 1/20 0.47
IDO1 P14902 2/20 0.47
BLM P54132 1/20 0.44
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
PRCP P42785 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2192515 1.00 TSHR (0.48) TSHRSLC18A3IDO1BLMEPHX1
SCHEMBL29182252 1.00 TSHR (0.48) TSHRSLC18A3IDO1BLMEPHX1
SCHEMBL2192471 0.98 EPHX1 (0.46) TSHRSLC18A3IDO1BLMEPHX1
SCHEMBL59026 0.94 IDO1 (0.53) TSHRSLC18A3IDO1BLMEPHX1
SCHEMBL29449692 0.94 IDO1 (0.53) TSHRSLC18A3IDO1BLMEPHX1
SCHEMBL3596545 0.94 IDO1 (0.53) TSHRSLC18A3IDO1BLMEPHX1
SCHEMBL3583014 0.94 IDO1 (0.53) TSHRSLC18A3IDO1BLMEPHX1
Bromide SCHEMBL9033434 0.92 IDO1 (0.52) TSHRSLC18A3IDO1BLMEPHX1
Hydrochloric Acid SCHEMBL22770167 0.92 IDO1 (0.55) TSHRSLC18A3IDO1BLMEPHX1
Benzene SCHEMBL28873131 0.92 IDO1 (0.52) TSHRIDO1BLMCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111265663-B Application of orphanin enkephalin receptor specific antagonist in preparation of arrhythmia treatment drug 郭政 2022-04-22 CN claimed
CN-111265663-B Application of orphanin enkephalin receptor specific antagonist in preparation of arrhythmia treatment drug 郭政 2022-04-22 CN disclosed
CN-111265663-B Application of orphanin enkephalin receptor specific antagonist in preparation of arrhythmia treatment drug 郭政 2022-04-22 CN disclosed