SCHEMBL9631444

SCHEMBL9631444

O=C(O)CC1NC(C(=O)O)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
PTPRA P18433 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HIF1A Q16665 1/20 0.38
OPRM1 P35372 1/20 0.37
EGFR P00533 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 2/20 0.36

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
SCHEMBL10505998 0.85 MAPT (0.47) MAPTGAASMN1; SMN2KDM4ECYP2D6
SCHEMBL5319112 0.84 SLC22A1 (0.50) MAPTGAASMN1; SMN2KDM4ECYP2D6
SCHEMBL4881527 0.83 PTPRA (0.36) MAPTGAAPTPRASMN1; SMN2KDM4E
SCHEMBL28787105 0.78 MAPT (0.53) MAPTGAASMN1; SMN2KDM4ECYP2D6
SCHEMBL29430156 0.78 MAPT (0.53) MAPTGAASMN1; SMN2KDM4ECYP2D6
SCHEMBL31650932 0.78 MAPT (0.53) MAPTGAASMN1; SMN2KDM4ECYP2D6
SCHEMBL27398624 0.78 MAPT (0.53) MAPTGAASMN1; SMN2KDM4ECYP2D6
SCHEMBL268492 0.78 MAPT (0.53) MAPTGAASMN1; SMN2KDM4ECYP2D6
SCHEMBL7288777 0.78 PTPRA (0.55) MAPTGAAPTPRASMN1; SMN2TSHR
SCHEMBL6388437 0.78 PTPRA (0.55) MAPTGAAPTPRASMN1; SMN2TSHR

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
US-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US disclosed
US-5071847-A BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS ADIR ET COMPAGNIE (FR) 1991-12-10 US disclosed
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 US disclosed
US-4943577-A PSYCHOLOGICAL DISORDERS ADIR ET CIE (FR) 1990-07-24 US disclosed
US-4877788-A ANXIOLYTIC, ANTIAGGRESSIVE OR ANTIPSYCHOTIC AGENT ADIR ET CIE (FR) 1989-10-31 US disclosed