SCHEMBL9307016

SCHEMBL9307016

CCCCN1CC[C@@H]2c3ccccc3CC[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 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
SCHEMBL9307027 1.00 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307633 1.00 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307021 1.00 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL9308492 0.99 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL9308495 0.99 SIGMAR1 (1.00) SIGMAR1
SCHEMBL7382127 0.92 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307840 0.92 SIGMAR1 (0.97) SIGMAR1
SCHEMBL467089 0.88 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9309148 0.85 SIGMAR1 (0.98) SIGMAR1
SCHEMBL9306851 0.82 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