SCHEMBL30289727

SCHEMBL30289727

CSc1cccc(CCN)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.65
HTR2C P28335 1/20 0.65
TAAR1 Q96RJ0 8/20 0.57
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
NOS1 P29475 2/20 0.47
HTR2A P28223 2/20 0.46
CYP2A6 P11509 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HTR7 P34969 2/20 0.46
ACHE P22303 3/20 0.45
KIF11 P52732 1/20 0.45
CYP2D6 P10635 1/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL6796172 1.00 HTR6 (0.65) HTR6HTR2CTAAR1DRD2DRD1
SCHEMBL30430588 0.83 PNMT (0.48) HTR6HTR2CNOS1SMN1; SMN2LOXL2
SCHEMBL7050271 0.83 PNMT (0.48) HTR6HTR2CNOS1SMN1; SMN2LOXL2
SCHEMBL10409331 0.83 HTR6 (0.69) HTR6HTR2CTAAR1DRD2DRD1
Hydrochloric Acid SCHEMBL4935448 0.82 PNMT (0.47) HTR6HTR2CNOS1SMN1; SMN2LOXL2
SCHEMBL10061751 0.82 HTR2C (0.43) HTR6HTR2CDRD2DRD1KIF11
SCHEMBL7493101 0.80 HTR2C (0.42) HTR6HTR2CSMN1; SMN2
SCHEMBL28041624 0.80 TDP1 (0.46) HTR6HTR2CTAAR1SMN1; SMN2
SCHEMBL5180784 0.80 MAPT (0.43) HTR6HTR2CSMN1; SMN2CYP2D6
SCHEMBL5181352 0.80 HTR2C (0.42) HTR6HTR2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4618981-A1 COMBINATIONS OF MONOAMINE OXIDASE INHIBITORS AND SEROTONIN RECEPTOR AGONISTS AND THEIR THERAPEUTIC USE Remedi, Inc. (US) 2025-09-24 EP disclosed
EP-4543833-A1 N-SUBSTITUTED PHENYLALKYLAMINES AND THEIR USE AS THERAPEUTIC AGENTS Alexander Shulgin Research Institute, Inc. (US) 2025-04-30 EP disclosed
EP-4405318-A1 SUBSTITUTED PHENYLALKYLAMINES Alexander Shulgin Research Institute, Inc. (US) 2024-07-31 EP disclosed
WO-2024108195-A1 COMBINATIONS OF MONOAMINE OXIDASE INHIBITORS AND SEROTONIN RECEPTOR AGONISTS AND THEIR THERAPEUTIC USE REMEDI, INC. (US) 2024-05-23 WO disclosed
WO-2024006226-A1 N-SUBSTITUTED PHENYLALKYLAMINES AND THEIR USE AS THERAPEUTIC AGENTS ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-01-04 WO disclosed
WO-2023049480-A1 SUBSTITUTED PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE (US) 2023-03-30 WO disclosed