SCHEMBL5884430

SCHEMBL5884430

CON=C(C)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
GPR119 Q8TDV5 3/20 0.37
MCHR1 Q99705 1/20 0.36
CHEK2 O96017 3/20 0.36
ACACB O00763 2/20 0.36
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL5883991 0.90 GPR119 (0.38) NR1I2GPR119MCHR1CHEK2ACACB
SCHEMBL1419892 0.83 GPR119 (0.43) NR1I2GPR119CHEK2ACACBTEAD1
SCHEMBL9986408 0.81 GPR119 (0.45) NR1I2GPR119TEAD1TEAD3MAPT
SCHEMBL5884721 0.81 MEN1 (0.42) GPR119CHEK2ACACB
Pirodavir SCHEMBL146440 0.80 HRH3 (0.46) NR1I2HRH3GPR119MAPT
SCHEMBL5884362 0.80 NR1I2 (0.38) NR1I2GPR119ACACBTEAD1TEAD3
SCHEMBL5884377 0.79 MEN1 (0.43) GPR119
SCHEMBL7486949 0.78 GPR119 (0.40) NR1I2GPR119ACACBTEAD1TEAD3
SCHEMBL5884663 0.77 GPR119 (0.35) NR1I2GPR119ACACBTEAD1TEAD3
SCHEMBL5884597 0.76 MEN1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed