SCHEMBL5874855

SCHEMBL5874855

O=C(ON1CCNCC1)c1ccccc1C(=O)ON1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
ABCC1 P33527 1/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRD1 P41143 2/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 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
SCHEMBL5875374 0.90 TSHR (0.47) RXFP1SIGMAR1ABCC1TSHRALDH1A1
SCHEMBL27892691 0.89 HTT (0.44) RXFP1SIGMAR1ALDH1A1ADRB1KMT2A
SCHEMBL1665838 0.86 TSHR (0.43) TSHRUSP2ALDH1A1HSD17B10KMT2A
SCHEMBL4035954 0.86 HTR6 (0.46) SIGMAR1TSHRPOLBALDH1A1HSD17B10
SCHEMBL24120719 0.84 SIGMAR1 (0.56) SIGMAR1TSHRPOLBUSP2ALDH1A1
SCHEMBL4522298 0.84 SIGMAR1 (0.56) SIGMAR1TSHRPOLBUSP2ALDH1A1
SCHEMBL29004525 0.82 ADRB1 (0.46) RXFP1ADRB1HTR3AKMT2AMEN1
SCHEMBL21467212 0.82 SIGMAR1 (0.54) SIGMAR1TSHRPOLBUSP2ALDH1A1
SCHEMBL28083939 0.82 SIGMAR1 (0.54) SIGMAR1TSHRPOLBUSP2ALDH1A1
SCHEMBL27383717 0.82 SIGMAR1 (0.54) SIGMAR1TSHRPOLBUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed