SCHEMBL4746022

SCHEMBL4746022

O=C(O)c1ccc(C2=CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.62
SIGMAR1 Q99720 2/20 0.61
HTR2C P28335 6/20 0.59
P2RY14 Q15391 1/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
TSHR P16473 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRR1 P24046 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52

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
SCHEMBL5603681 0.84 QDPR (0.61) QDPRSIGMAR1HTR2CP2RY14GABRP
SCHEMBL24670263 0.84 QDPR (0.61) QDPRSIGMAR1HTR2CP2RY14NAMPT
SCHEMBL18715828 0.80 QDPR (0.56) QDPRSIGMAR1HTR2CNAMPTMAPKAPK2
SCHEMBL24670222 0.80 QDPR (0.56) QDPRSIGMAR1HTR2CP2RY14LMNA
SCHEMBL24670573 0.79 MAPKAPK2 (0.59) QDPRSIGMAR1HTR2CNAMPTMAPKAPK2
SCHEMBL29522119 0.79 SIGMAR1 (0.49) QDPRSIGMAR1HTR2CP2RY14GABRP
Trifluoroacetic Acid SCHEMBL29749858 0.79 QDPR (0.50) QDPRSIGMAR1HTR2CP2RY14GABRP
SCHEMBL171560 0.78 P4HA1 (0.54) QDPRSIGMAR1HTR2CP2RY14GABRP
SCHEMBL30080863 0.78 QDPR (0.53) QDPRSIGMAR1HTR2CP2RY14GABRP
SCHEMBL18121781 0.78 QDPR (0.57) QDPRSIGMAR1HTR2CP2RY14GABRP

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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed