SCHEMBL9058691

SCHEMBL9058691

COc1ccccc1-c1ccccc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 9/20 1.00
▸ HTR3A P46098 4/20 0.76
▸ HTR6 P50406 2/20 0.76
▸ DRD2 P14416 2/20 0.76
▸ ADRB1 P08588 2/20 0.76
▸ HTR3E A5X5Y0 1/20 0.76
▸ HTR3B O95264 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ DRD3 P35462 1/20 0.76
▸ HTR3D Q70Z44 1/20 0.76
▸ HTR3C Q8WXA8 1/20 0.76
▸ SIGMAR1 Q99720 1/20 0.76
▸ LMNA P02545 1/20 0.73
▸ MAPT P10636 1/20 0.73
▸ HTR2B P41595 2/20 0.64
▸ HTR1A P08908 5/20 0.64
▸ HTR2A P28223 1/20 0.58
▸ HTR5A P47898 1/20 0.58
▸ SLC6A2 P23975 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54

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
SCHEMBL29396943 0.86 HTR3A (1.00) HTR7HTR3AHTR6DRD2ADRB1
SCHEMBL6366499 0.86 HTR3A (1.00) HTR7HTR3AHTR6DRD2ADRB1
SCHEMBL379 0.86 HTR3A (1.00) HTR7HTR3AHTR6DRD2ADRB1
Hydrochloric Acid SCHEMBL29397565 0.85 LMNA (1.00) HTR7HTR3AHTR6DRD2ADRB1
Bromide SCHEMBL27797305 0.85 HTR3A (0.96) HTR7HTR3AHTR6DRD2ADRB1
Hydrochloric Acid SCHEMBL246416 0.85 LMNA (1.00) HTR7HTR3AHTR6DRD2ADRB1
Piperazine SCHEMBL28843777 0.85 HTR3A (0.96) HTR7HTR3AHTR6DRD2ADRB1
Hydrochloric Acid SCHEMBL6602545 0.85 LMNA (1.00) HTR7HTR3AHTR6DRD2ADRB1
Iodide SCHEMBL27505006 0.83 HTR3A (0.93) HTR7HTR3AHTR6DRD2ADRB1
Hydrochloric Acid SCHEMBL9069817 0.83 HTR3A (0.93) HTR7HTR3AHTR6DRD2ADRB1

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-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 — — WO disclosed
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