SCHEMBL9185072

SCHEMBL9185072

CCCNC1CCCc2cccc(C#N)c21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
DRD4 P21917 2/20 0.40

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
SCHEMBL9189350 0.80 HTR1A (0.43) HTR1AHTTDRD2DRD3DRD4
SCHEMBL8634507 0.80 HTR1A (0.43) HTR1AHTTDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9359991 0.78 HTR1A (0.40) HTR1AHTTDRD2DRD3DRD4
SCHEMBL9019746 0.77 HTR1A (0.41) HTR1AHTTDRD2DRD3DRD4
SCHEMBL9187440 0.77 HTT (0.42) HTR1AHTTDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9359457 0.76 HTR1A (0.41) HTR1AHTTDRD2DRD3DRD4
SCHEMBL9019728 0.76 HTR1A (0.41) HTR1AHTTDRD2DRD3DRD4
SCHEMBL10643997 0.76 HTT (0.43) HTR1AHTTDRD2DRD3DRD4
SCHEMBL9019804 0.75 LMNA (0.46) HTR1AHTTDRD2DRD3
SCHEMBL9019753 0.75 HTR1A (0.40) HTR1AHTTDRD2DRD3DRD4

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
US-5389687-A Selective antagonists of serotonin ELI LILLY AND COMPANY (US) 1995-02-14 US disclosed