SCHEMBL10513468

SCHEMBL10513468

OC1(c2cccc3[nH]ccc23)CCN(CCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.48
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
MAPK14 Q16539 1/20 0.43
CCR3 P51677 1/20 0.43

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
Hydrochloric Acid SCHEMBL10669369 0.87 DRD2 (0.57) SIGMAR1DRD2DRD4DRD3HTR2A
SCHEMBL11223325 0.86 SLC6A3 (0.42) SIGMAR1DRD2DRD4DRD3HTR2A
SCHEMBL10674194 0.84 DRD3 (0.45) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL10506936 0.83 MEN1 (0.46) DRD2DRD4DRD3
SCHEMBL10675284 0.81 DRD4 (0.46) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL7951002 0.79 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL11136336 0.77 DRD4 (0.51) DRD2DRD4DRD3MAPK14
Hydrochloric Acid SCHEMBL11220155 0.76 DRD4 (0.50) DRD2DRD4DRD3MAPK14
SCHEMBL6621730 0.74 TDP1 (0.48) DRD4DRD3HTR2A
Fumaric Acid SCHEMBL10672445 0.74 MAPT (0.39) SIGMAR1DRD2DRD4DRD3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0169148-B1 INDOLE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-09-13 EP disclosed
EP-0169148-A1 Indole derivatives, their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1986-01-22 EP disclosed