SCHEMBL7478927

SCHEMBL7478927

c1ccc(COc2ccc3c(c2)CN(Nc2ccncc2)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.56
CYP2D6 P10635 3/20 0.50
HRH1 P35367 1/20 0.50
F2 P00734 2/20 0.47
KCNH2 Q12809 1/20 0.46
GRIN2B Q13224 1/20 0.46
CARM1 Q86X55 1/20 0.45
KDM1A O60341 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
REV1 Q9UBZ9 1/20 0.42
F10 P00742 1/20 0.41
CHRNA7 P36544 2/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 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
SCHEMBL7477683 0.82 CHRNA7 (0.62) REV1CHRNA7
SCHEMBL7485133 0.80 DRD1 (0.48)
SCHEMBL7477903 0.76 EED (0.54) GRIN2BPRMT5WDR77
SCHEMBL7480264 0.76 DRD1 (0.43)
Hydrochloric Acid SCHEMBL7483419 0.74 DRD1 (0.50)
SCHEMBL29098091 0.74 F10 (0.51) HRH3F10
SCHEMBL7489390 0.73 LIPE (0.61) GRIN2BL3MBTL1PRMT5WDR77
SCHEMBL5450398 0.73 HRH3 (1.00) HRH3CYP2D6HRH1CARM1CHRNA7
SCHEMBL8188071 0.72 HRH3 (0.92) HRH3CYP2D6HRH1CARM1L3MBTL1
SCHEMBL7478949 0.72 HRH3 (0.57) HRH3CYP2D6HRH1GRIN2BCARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO disclosed