SCHEMBL9871472

SCHEMBL9871472

Nc1nc2c(s1)CC(CCN1CCN(c3ccccn3)CC1)CC2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.53
DRD2 P14416 6/20 0.51
DRD3 P35462 6/20 0.51
HTR2C P28335 2/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49

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 0.90 DRD2 (0.47) DRD2DRD3HTR2CHTR2A
SCHEMBL9874358 0.85 DRD2 (0.58) DRD2DRD3
SCHEMBL9872977 0.82 KDM4E (0.59)
Water SCHEMBL9874788 0.81 KDM4E (0.58)
Water SCHEMBL9874791 0.81 KDM4E (0.58)
SCHEMBL9872326 0.80 LMNA (0.47) DRD2DRD3
Water SCHEMBL9874025 0.79 LMNA (0.46) DRD2DRD3
Water SCHEMBL9874020 0.79 LMNA (0.46) DRD2DRD3
SCHEMBL9873677 0.76 KDM4E (0.47)
SCHEMBL9872533 0.75 DRD2 (0.49) DRD2DRD3DRD4

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