SCHEMBL29633101

SCHEMBL29633101

COc1ccc(OC)c(CCNCc2ccccc2OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.67
HTR2C P28335 5/20 0.67
HRH1 P35367 2/20 0.67
OPRM1 P35372 2/20 0.67
OPRK1 P41145 2/20 0.67
HTR2B P41595 2/20 0.67
HTR6 P50406 2/20 0.67
MPO P05164 1/20 0.61
CHRM2 P08172 9/20 0.59
GRIN1 Q05586 4/20 0.59
GRIN2A Q12879 4/20 0.59
BCHE P06276 4/20 0.59
ACHE P22303 4/20 0.59
CHRM4 P08173 2/20 0.59
CHRM5 P08912 2/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL29633027 1.00 HTR2A (0.67) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL17287296 1.00 HTR2A (0.67) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL30277352 0.89 MPO (0.75) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL10032817 0.84 HTR2A (0.62) HTR2AHTR2CBCHE
SCHEMBL24733397 0.84 HTR2A (0.59) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL31218188 0.84 HTR2A (0.59) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL31218191 0.83 HTR2A (0.58) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL24733369 0.83 HTR2A (0.58) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL24733374 0.83 HTR2A (0.58) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL19171129 0.82 HTR2A (0.75) HTR2AHTR2CHRH1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119497589-A Therapeutic combinations, compositions and methods for designing and producing conditions that promote mental well-being 心境设计实验室股份有限公司 2025-02-21 CN disclosed
EP-4452986-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME Kuleon LLC (US) 2024-10-30 EP disclosed
CN-118055766-A Magic and non-magic serotonin receptor agonist and its preparing process and usage 库莱恩有限责任公司 2024-05-17 CN disclosed
WO-2023225043-A1 TRICYCLIC AND TETRACYCLIC SEROTONIN RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-11-23 WO disclosed
EP-4251181-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS Wesana Health Inc. (US) 2023-10-04 EP disclosed
EP-4251139-A2 COMPOSITIONS AND METHODS FOR TREATING MIGRAINE Wesana Health Inc. (US) 2023-10-04 EP disclosed
WO-2023122135-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-06-29 WO disclosed
WO-2023023298-A1 HALLUCINOGENIC AND NON-HALLUCINOGENIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PSILOSTERICS, LLC (US) 2023-02-23 WO disclosed
WO-2022115798-A2 COMPOSITIONS AND METHODS FOR TREATING MIGRAINE WESANA HEALTH INC. (US) 2022-06-02 WO disclosed
WO-2022115796-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS WESANA HEALTH INC. (US) 2022-06-02 WO disclosed