SCHEMBL4067169

SCHEMBL4067169

CN(C(=O)[CH]Cc1ccccc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
LMNA P02545 3/20 0.43

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 0.78 ALDH1A1 (0.46) POLBTSHRALDH1A1KMT2ATRPM8
SCHEMBL4075667 0.78 KDM4E (0.50) ALDH1A1SLC6A2KMT2ALMNASMN1; SMN2
SCHEMBL5862092 0.77 MEN1 (0.60) POLBTSHRALDH1A1CHRM2ADRA2A
SCHEMBL5641708 0.76 LIPE (0.43) POLBTSHRALDH1A1KMT2AMEN1
SCHEMBL243741 0.76 POLB (0.51) POLBTSHRALDH1A1CHRM2ADRA2A
SCHEMBL27841533 0.76 NPC1 (0.44) TSHRALDH1A1KMT2AMEN1
SCHEMBL6430248 0.75 TRPM8 (0.59) POLBALDH1A1KMT2AMEN1TRPM8
SCHEMBL4067161 0.74 NOTUM (0.47) POLBTSHRKMT2ALMNAMAPK1
Hydrochloric Acid SCHEMBL11804810 0.74 POLB (0.50) POLBTSHRALDH1A1CHRM2ADRA2A
SCHEMBL6644466 0.74 CYP2D6 (0.46) POLBTSHRALDH1A1CHRM2ADRA2A

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