SCHEMBL9307181

SCHEMBL9307181

CN1CCC2c3ccccc3CCC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 1.00

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
SCHEMBL9307179 1.00 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307177 1.00 SIGMAR1 (1.00) SIGMAR1
SCHEMBL11546208 0.87 SIGMAR1 (0.77) SIGMAR1
SCHEMBL7381396 0.85 SIGMAR1 (0.74) SIGMAR1
SCHEMBL9307840 0.81 SIGMAR1 (0.97) SIGMAR1
SCHEMBL29016989 0.81 SIGMAR1 (0.68) SIGMAR1
SCHEMBL9308169 0.79 SIGMAR1 (0.97) SIGMAR1
SCHEMBL9307798 0.79 SIGMAR1 (0.65) SIGMAR1
SCHEMBL9308165 0.79 SIGMAR1 (0.97) SIGMAR1
SCHEMBL9307924 0.79 SIGMAR1 (0.97) SIGMAR1

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-5294618-A Psychological disorders MERCK SHARP & DOHME LIMITED (GB) 1994-03-15 US disclosed
EP-0410535-A2 Octahydrobenzisoquinoline derivatives as antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-01-30 EP disclosed