SCHEMBL10950591

SCHEMBL10950591

O=C(CCCN1CCc2sc3ccccc3c(=O)c2C1)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.58
▸ HTR2A P28223 3/20 0.58
▸ DRD3 P35462 3/20 0.58
▸ HTR2B P41595 3/20 0.58
▸ HRH1 P35367 2/20 0.58
▸ HTR1A P08908 2/20 0.58
▸ HTR7 P34969 2/20 0.58
▸ APAF1 O14727 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ CACNA1F O60840 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MAPT P10636 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
Hydrochloric Acid SCHEMBL10949429 0.99 DRD2 (0.57) DRD2HTR2ADRD3HTR2BHRH1
SCHEMBL10799633 0.79 ADRA2A (0.49) DRD2DRD3HTR1AHTR7KDM4E
Hydrochloric Acid SCHEMBL10947135 0.78 ADRA2A (0.45) DRD2DRD3KDM4EHSD17B10MEN1
SCHEMBL10800854 0.78 ADRA2A (0.48) DRD2DRD3HTR1AHTR7MEN1
Hydrochloric Acid SCHEMBL10947161 0.78 ADRA2A (0.48) DRD2DRD3HTR1AHTR7KDM4E
SCHEMBL11130852 0.77 HTR1A (0.49) HTR1AHTR7MEN1ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL10946429 0.77 ADRA2A (0.48) DRD2HTR2ADRD3HTR2BHRH1
SCHEMBL10801493 0.76 ADRA2A (0.51) DRD2DRD3KDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL10949363 0.76 HTR1A (0.48) HTR1AHTR7MEN1ADRA2ACYP2D6
SCHEMBL7147206 0.76 DRD2 (0.65) DRD2HTR2ADRD3HTR2BHRH1

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
US-4547507-A ANTIDEPRESSANTS ROUSSEL UCLAF (FR) 1985-10-15 — — US claimed
US-4547507-A ANTIDEPRESSANTS ROUSSEL UCLAF (FR) 1985-10-15 — — US disclosed
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