SCHEMBL24720737

SCHEMBL24720737

Cc1ccccc1N1CCN(CCC2CCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 3/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
TSHR P16473 1/20 0.52
HTR7 P34969 1/20 0.52
SLC18A3 Q16572 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL24689480 0.96 ADRA1B (0.58) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL24719040 0.89 TSHR (0.61) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL3844518 0.87 DRD2 (0.54) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL24719242 0.87 DRD2 (0.59) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL4502971 0.86 DRD2 (0.65) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL22302984 0.84 MEN1 (0.59) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL24720694 0.84 DRD2 (0.54) DRD2DRD3HTR1A
SCHEMBL3863328 0.81 DRD2 (0.57) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL4502968 0.81 DRD2 (0.59) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL3436476 0.81 ADRA1B (0.51) ADRA1BADRA1DADRA1ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4056568-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-14 EP disclosed