SCHEMBL29633112

SCHEMBL29633112

COc1ccc(CNCCc2cc(OC)c(I)cc2OC)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.76
HTR2C P28335 6/20 0.66
HRH1 P35367 2/20 0.66
OPRM1 P35372 2/20 0.66
OPRK1 P41145 2/20 0.66
HTR2B P41595 2/20 0.66
HTR6 P50406 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.50
CHRM2 P08172 1/20 0.50

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
SCHEMBL20976098 1.00 HTR2A (0.76) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL25397312 0.88 HTR2A (0.76) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL30033916 0.86 HTR2A (1.00) HTR2AHTR2C
SCHEMBL31498053 0.86 HTR2A (0.78) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL20970877 0.86 HTR2A (0.78) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL29633080 0.86 HTR2A (0.78) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL29633074 0.86 HTR2A (0.78) HTR2AHTR2CHRH1OPRM1OPRK1
SCHEMBL20976100 0.84 HTR2A (0.72) HTR2AHTR2CSMN1; SMN2CHRM2
SCHEMBL29633061 0.84 HTR2A (0.72) HTR2AHTR2CSMN1; SMN2CHRM2
SCHEMBL20970889 0.80 POLB (0.60) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4251139-A2 COMPOSITIONS AND METHODS FOR TREATING MIGRAINE Wesana Health Inc. (US) 2023-10-04 EP disclosed
EP-4251181-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS 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