SCHEMBL4067161

SCHEMBL4067161

CN(C(=O)[CH]Cc1ccccc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.44
LMNA P02545 3/20 0.43
NAPRT Q6XQN6 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
POLQ O75417 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GRM2 Q14416 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL4064685 0.85 ALDH1A1 (0.46) TSHRLMNAKMT2AKDM4EPOLB
SCHEMBL4075667 0.84 KDM4E (0.50) GAAHTTLMNAKMT2AKDM4E
SCHEMBL3884249 0.78 NOTUM (0.56) NOTUMTRPV1GAATSHRHTT
SCHEMBL4068051 0.78 LMNA (0.55) GAATSHRLMNANAPRTCHRNB2
SCHEMBL3159549 0.77 NOTUM (0.48) NOTUMTRPV1GAATSHRHTT
SCHEMBL12172748 0.77 KDM4E (0.48) NOTUMTRPV1GAAHTTPOLQ
SCHEMBL965251 0.75 NOTUM (0.51) NOTUMTRPV1GAATSHRHTT
SCHEMBL7742675 0.75 LMNA (0.56) NOTUMTRPV1GAATSHRHTT
SCHEMBL25417551 0.75 NOTUM (0.46) NOTUMTRPV1GAATSHRHTT
SCHEMBL12189450 0.75 NOTUM (0.46) NOTUMTRPV1GAATSHRHTT

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-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed