SCHEMBL9340244

SCHEMBL9340244

CSc1ccc(OCC2CCN(CC3CC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.66

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
SCHEMBL7920290 0.86 PARP15 (0.50) SIGMAR1
SCHEMBL5567574 0.83 SIGMAR1 (0.51) SIGMAR1
SCHEMBL7364335 0.81 SIGMAR1 (0.71) SIGMAR1
SCHEMBL7362469 0.81 SIGMAR1 (0.71) SIGMAR1
Hydrochloric Acid SCHEMBL7356651 0.79 SIGMAR1 (0.69) SIGMAR1
SCHEMBL7362689 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL7396474 0.78 SIGMAR1 (0.66) SIGMAR1
SCHEMBL14163902 0.77 SIGMAR1 (0.62) SIGMAR1
SCHEMBL7362580 0.76 SIGMAR1 (1.00) SIGMAR1
SCHEMBL5563456 0.76 TDP1 (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296479-A Treating physiological or drug-induced psychosis or dyskinesia THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-03-22 US disclosed
US-5266572-A Antipsychotic 1-cycloalkylpiperidines THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-30 US disclosed
US-5243048-A Treatment of drug-induced or physiological psychosis or dyskinesia; side effect reduction THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-09-07 US disclosed
US-5109002-A ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-04-28 US disclosed