SCHEMBL8380821

SCHEMBL8380821

CSn1c(-c2nccc(OCCN(Cc3ccccc3)C3CCCCC3)c2C)nc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDE6D O43924 2/20 0.31
▸ MAPT P10636 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL8441758 0.83 DRD3 (0.37) DRD2DRD3HTTCYP2D6KMT2A
SCHEMBL8380817 0.81 MEN1 (0.34) PTAFRDRD2DRD3ALDH1A1LMNA
SCHEMBL8440547 0.79 NPSR1 (0.38) LMNAHTTKMT2AMEN1MAPT
SCHEMBL8443545 0.78 GALR3 (0.38) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8439251 0.78 KDM4E (0.39) DRD2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8443201 0.77 TDP1 (0.44) DRD2DRD3SMN1; SMN2CYP2D6
SCHEMBL8441860 0.76 DRD2 (0.46) DRD2DRD3CYP2D6
SCHEMBL8672723 0.76 MEN1 (0.38) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL8443200 0.75 KMT2A (0.42) DRD3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8669339 0.75 MEN1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — US claimed
JP-5117268-A — — None — — JP disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — US disclosed
JP-H05117268-A PYRIDINE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1993-05-14 — — JP disclosed
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