SCHEMBL7433419

SCHEMBL7433419

O=[C]C1NC(=O)CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

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
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SRD5A1 P18405 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
SCHEMBL95058 0.75 PRCP (0.53) HTR2AHTR2CHTR2BSMN1; SMN2PRCP
SCHEMBL9627333 0.74 PRCP (0.56) HTR2ARETNPC1MAPK13MAPK12
SCHEMBL7433436 0.72 HTR2A (0.42) HTR2ARETNPC1MAPK13MAPK12
SCHEMBL9187132 0.71 ACP3 (0.48) HTR2ARETACP3PRCPTSHR
SCHEMBL3113641 0.71 CHRNB2 (0.40) PRCPTSHR
SCHEMBL1546430 0.69 CRBN (0.33)
SCHEMBL5191604 0.66 HTR2C (0.46) HTR2ARETACP3HTR2CSMN1; SMN2
SCHEMBL7799869 0.66 PRCP (0.49) HTR2ARETSRD5A1PRCPGAA
SCHEMBL384148 0.64 IDO1 (0.46) ACP3SRD5A1
SCHEMBL6916099 0.64 ACP3 (0.50) HTR2ARETACP3TSHRNPSR1

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