SCHEMBL9872107

SCHEMBL9872107

c1ccc(N2CCN(CC3CCc4ncsc4C3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.50
HTR2A P28223 3/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL9873640 0.82 DRD2 (0.47) HTR2CHTR2ADRD2
SCHEMBL13648727 0.78 DRD2 (0.62) HTR2CHTR2ADRD2DRD4HTR1A
SCHEMBL13648741 0.75 DRD2 (0.60) HTR2CHTR2ADRD2DRD4
SCHEMBL7812646 0.74 HTR2C (0.60) HTR2CHTR2ADRD2DRD4
SCHEMBL9205093 0.73 HTR2C (0.52) HTR2CHTR2ADRD2DRD4HTR1A
SCHEMBL7783722 0.73 DRD2 (0.58) HTR2CHTR2ADRD2DRD4
SCHEMBL7792010 0.73 DRD2 (0.58) HTR2CHTR2ADRD2DRD4
SCHEMBL9773116 0.72 DRD2 (0.56) HTR2CHTR2ADRD2DRD4HTR1A
SCHEMBL9773119 0.72 DRD2 (0.56) HTR2CHTR2ADRD2DRD4HTR1A
SCHEMBL9871472 0.72 HTR1A (0.53) HTR2CHTR2ADRD2DRD4HTR1A

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