SCHEMBL7478949

SCHEMBL7478949

CN(c1ccncc1)N1CCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.57
CARM1 Q86X55 1/20 0.48
CYP2D6 P10635 3/20 0.48
HRH1 P35367 1/20 0.48
REV1 Q9UBZ9 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
GHSR Q92847 1/20 0.41
KDM1A O60341 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7478954 0.78 GRIN2D (0.45) HRH3GRIN1GRIN2BL3MBTL1
SCHEMBL7481724 0.77 DRD1 (0.48)
SCHEMBL8188071 0.75 HRH3 (0.92) HRH3CARM1CYP2D6HRH1REV1
SCHEMBL5450398 0.74 HRH3 (1.00) HRH3CARM1CYP2D6HRH1
Hydrochloric Acid SCHEMBL4937090 0.72 HRH3 (0.97) HRH3CARM1CYP2D6HRH1
SCHEMBL3045956 0.72 REV1 (0.70) HRH3CARM1CYP2D6HRH1REV1
SCHEMBL7478927 0.72 HRH3 (0.56) HRH3CARM1CYP2D6HRH1REV1
SCHEMBL4917832 0.70 HRH3 (0.77) HRH3CARM1CYP2D6HRH1REV1
SCHEMBL8539582 0.70 SLC6A2 (0.57)
SCHEMBL9194405 0.70 HRH3 (0.53) HRH3CYP2D6HRH1REV1GRIN1

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
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