SCHEMBL9873640

SCHEMBL9873640

Nc1nc2c(s1)CC(CN1CCN(c3ccccn3)CC1)CC2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
HTR2C P28335 2/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 5/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC27A1 Q6PCB7 1/20 0.44

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
SCHEMBL9871472 0.90 HTR1A (0.53) DRD2HTR2CHTR2ADRD3
SCHEMBL9874353 0.85 DRD2 (0.55) DRD2DRD3LMNAPOLBGAA
SCHEMBL9872977 0.83 KDM4E (0.59) LMNAPOLBMAPTTSHRMAPK1
Water SCHEMBL9874791 0.82 KDM4E (0.58) LMNAPOLBMAPTTSHRMAPK1
Water SCHEMBL9874788 0.82 KDM4E (0.58) LMNAPOLBMAPTTSHRMAPK1
SCHEMBL9872107 0.82 HTR2C (0.50) DRD2HTR2CHTR2A
SCHEMBL9872326 0.82 LMNA (0.47) DRD2DRD3LMNAPOLBGAA
Water SCHEMBL9874020 0.81 LMNA (0.46) DRD2DRD3LMNAPOLBGAA
Water SCHEMBL9874025 0.81 LMNA (0.46) DRD2DRD3LMNAPOLBGAA
SCHEMBL9873718 0.80 LMNA (0.43) DRD2DRD3LMNAPOLBGAA

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