SCHEMBL6587023

SCHEMBL6587023

CCCC1(O)c2ccccc2C(=O)N1c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.59
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PGR P06401 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 6/20 0.39
MDM2 Q00987 1/20 0.39
KCNQ2 O43526 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL6586651 0.89 RXFP1 (0.61) RXFP1TSHRTP53SMN1; SMN2MEN1
Fumaric Acid SCHEMBL6589338 0.82 RXFP1 (0.56) RXFP1TSHRTP53SMN1; SMN2MEN1
Maleic Acid SCHEMBL6589328 0.82 RXFP1 (0.56) RXFP1TSHRTP53SMN1; SMN2MEN1
SCHEMBL6589296 0.79 RXFP1 (0.66) RXFP1TSHRTP53SMN1; SMN2MEN1
Fumaric Acid SCHEMBL6588746 0.72 RXFP1 (0.60) RXFP1TSHRTP53MEN1KMT2A
Fumaric Acid SCHEMBL6588742 0.72 RXFP1 (0.60) RXFP1TSHRTP53MEN1KMT2A
SCHEMBL6589332 0.71 RXFP1 (0.49) RXFP1TSHRTP53SMN1; SMN2PGR
SCHEMBL29209617 0.71 MEN1 (0.67) RXFP1TSHRTP53SMN1; SMN2MEN1
SCHEMBL29031855 0.70 CES1 (0.46) TSHRMEN1MAPTKMT2APGR
SCHEMBL6589132 0.69 RXFP1 (0.53) RXFP1TSHRTP53SMN1; SMN2PGR

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 7 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 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