SCHEMBL6697145

SCHEMBL6697145

Cc1[nH]cnc1CCCOCc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A4 P31645 1/20 0.39
IP6K1 Q92551 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTR3A P46098 3/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3C Q8WXA8 2/20 0.38

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
SCHEMBL6660593 0.78 HRH4 (0.42) CNR1CNR2HRH4HRH3HRH2
SCHEMBL7974330 0.75 CNR1 (0.41) PIN1CNR1CNR2ADRA2AADRA2B
SCHEMBL6692241 0.73 HRH3 (0.43) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6658784 0.73 HRH3 (0.56) HRH4HRH3HRH2HRH1TDP1
SCHEMBL14199087 0.72 CYP1A2 (0.44) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL6681815 0.72 HRH3 (0.60) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6666000 0.71 HRH3 (0.45) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6660969 0.71 IDO1 (0.43) HRH4HRH3
SCHEMBL28809537 0.70 CNR1 (0.46) CNR1CNR2
SCHEMBL28097226 0.70 CNR1 (0.46) CNR1CNR2

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-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP disclosed
WO-2003040106-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2003-05-15 WO disclosed