SCHEMBL6587765

SCHEMBL6587765

CC1(OC(=O)/C=C/C(=O)OC2(C)c3ccccc3CN2c2ccncc2)c2ccccc2CN1c1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
EED O75530 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 4/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
NAMPT P43490 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31

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
SCHEMBL6592827 0.82 ALDH1A1 (0.33) EEDALDH1A1KDM4EMAPTCYP2C9
SCHEMBL6593566 0.81 RXFP1 (0.37) LMNAEEDALDH1A1HIF1ACYP2C9
SCHEMBL6589528 0.81 MMP9 (0.32) EEDALDH1A1KDM4EMAPTCYP2C9
SCHEMBL6592054 0.80 CYP3A4 (0.30) CYP3A4
SCHEMBL8432083 0.78 RXFP1 (0.35) LMNABLMEEDALDH1A1HIF1A
SCHEMBL8433460 0.77 LMNA (0.40) LMNAALDH1A1KDM4ENAMPT
SCHEMBL6589132 0.74 RXFP1 (0.53) LMNAALDH1A1KDM4ECYP2C9TSHR
SCHEMBL6589652 0.71 LMNA (0.33) LMNABLMEEDALDH1A1HIF1A
SCHEMBL1691287 0.70 MAPT (0.42) KDM4EMAPTCYP3A4CYP1A2
SCHEMBL6589626 0.67 RXFP1 (0.50) LMNAEEDKDM4ECYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703232-B1 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors AVENTIS PHARMA INC (US) 2004-06-30 EP claimed
US-5567718-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL INC. (US) 1996-10-22 US claimed
EP-0703232-A2 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-27 EP claimed
EP-0703232-B1 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors AVENTIS PHARMA INC (US) 2004-06-30 EP disclosed
US-5874458-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL INC. (US) 1999-02-23 US disclosed
US-5874583-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA HOECHST MARION ROUSSEL INC. (US) 1999-02-23 US disclosed
US-5869685-A SEROTONIN REUPTAKE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1999-02-09 US disclosed
US-5869502-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA HOECHST MARION ROUSSEL INC. (US) 1999-02-09 US disclosed
US-5567718-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL INC. (US) 1996-10-22 US disclosed
EP-0703232-A2 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-27 EP disclosed