SCHEMBL7433436

SCHEMBL7433436

O=CC1NC(=O)CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
RET P07949 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
ACP3 P15309 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
SRD5A1 P18405 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
PRCP P42785 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES1 P23141 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL95059 0.75 PRCP (0.53) HTR2ASMN1; SMN2PRCPTSHRNPSR1
SCHEMBL1799182 0.75 PRCP (0.53) HTR2ASMN1; SMN2PRCPTSHRNPSR1
SCHEMBL9627333 0.74 PRCP (0.56) HTR2ARETNPC1MAPK13MAPK12
SCHEMBL28967711 0.72 PRCP (0.42) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL7433419 0.72 HTR2A (0.42) HTR2ARETNPC1MAPK13MAPK12
SCHEMBL2601579 0.71 ACP3 (0.48) HTR2ARETACP3CYP1A2CYP2D6
SCHEMBL3087062 0.71 CYP2D6 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19PRCP
SCHEMBL30435099 0.71 CYP2D6 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19PRCP
SCHEMBL22799647 0.70 TSHR (0.37) HTR2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5191604 0.66 HTR2C (0.46) HTR2ARETACP3SMN1; SMN2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462884-B1 TRH DERIVATIVES, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-06-16 EP disclosed
US-5190923-A For treatment of neurological disorders such as cognitive disorders ADIR ET COMPAGNIE (FR) 1993-03-02 US disclosed
EP-0462884-A1 TRH derivatives, their preparations and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-12-27 EP disclosed