SCHEMBL9872170

SCHEMBL9872170

Nc1nc2c(s1)CCC(N1CCN(c3ccccn3)CC1)C2

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL9872326 0.91 LMNA (0.47) DRD2DRD3
Water SCHEMBL9874025 0.90 LMNA (0.46) DRD2DRD3
Water SCHEMBL9874020 0.90 LMNA (0.46) DRD2DRD3
SCHEMBL9872840 0.77 LMNA (0.54) DRD2DRD3
SCHEMBL9872588 0.77 DRD2 (0.55) DRD2DRD3HTR1AADRA1A
SCHEMBL9873640 0.75 DRD2 (0.47) DRD2DRD3
SCHEMBL9872473 0.74 LMNA (0.40) DRD2DRD3
SCHEMBL9871472 0.74 HTR1A (0.53) DRD2DRD3HTR1A
SCHEMBL9873677 0.74 KDM4E (0.47)
SCHEMBL31143329 0.73 GRIN2D (0.51) DRD2DRD3ADRA1DADRA1AADRA1B

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-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed