SCHEMBL19973352

SCHEMBL19973352

Nc1cccc([C@@H]2CCNC2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2C P28335 6/20 0.50
HTR3A P46098 1/20 0.49
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL4343580 1.00 DRD2 (0.51) DRD2DRD3HTR2CHTR3ASLC18A3
SCHEMBL14272052 0.91 DRD2 (0.62) DRD2DRD3
SCHEMBL31345692 0.91 DRD2 (0.62) DRD2DRD3
SCHEMBL2264849 0.89 HTR2C (0.62) HTR2CSLC18A3SIGMAR1
SCHEMBL29922352 0.89 HTR2C (0.62) HTR2CSLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL2947700 0.87 HTR2C (0.64) HTR2CSLC18A3SIGMAR1
SCHEMBL4198563 0.85 CHRNB2 (0.53) DRD2DRD3HTR2C
SCHEMBL16334825 0.79 HDAC4 (0.52) DRD2DRD3HTR2C
SCHEMBL18956824 0.79 HDAC4 (0.47) DRD2DRD3HTR2C
SCHEMBL25381551 0.79 DRD2 (0.51) DRD2DRD3HTR2CHTR3ASLC18A3

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
WO-2018053195-A1 COMPOSITION FOR LIGHTENING OR DYEING KERATIN FIBERS WITH A LOW AMOUNT OF ALKALIZING AGENT NOXELL CORPORATION (US) 2018-03-22 WO disclosed