SCHEMBL9849844

SCHEMBL9849844

CCCC1NCCC2c3ccccc3CCC12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.43
▸ SIGMAR1 Q99720 6/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ PRCP P42785 2/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL9448102 0.81 PRCP (0.51) SIGMAR1PRCPCYP11B2
SCHEMBL9447973 0.75 SLC22A1 (0.43) PDPK1PRCP
SCHEMBL9121299 0.71 DRD1 (0.49) SIGMAR1PDPK1DRD2PRCP
SCHEMBL9121303 0.71 DRD1 (0.49) SIGMAR1PDPK1DRD2PRCP
SCHEMBL8168607 0.71 DRD1 (0.49) SIGMAR1PDPK1DRD2PRCP
SCHEMBL29547256 0.69 BCHE (0.56) HTR1APDPK1DRD2
SCHEMBL4431417 0.69 BCHE (0.56) HTR1APDPK1DRD2
SCHEMBL1009943 0.68 PRCP (0.64) PRCP
SCHEMBL9447918 0.68 SLC22A1 (0.49) SIGMAR1PDPK1PRCPCYP11B2
SCHEMBL11671198 0.65 SRD5A1 (0.55) HTR1ASIGMAR1PDPK1CYP11B2

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
EP-0410535-A2 Octahydrobenzisoquinoline derivatives as antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-01-30 — — EP disclosed
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