SCHEMBL6871895

SCHEMBL6871895

CN(C)c1nc(NC2CCC(NC(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ MCHR1 Q99705 6/20 0.49
▸ ADRA2A P08913 5/20 0.47
▸ BCHE P06276 11/20 0.45
▸ CHRM1 P11229 11/20 0.45
▸ ACHE P22303 11/20 0.45

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
SCHEMBL6871890 1.00 CNR1 (0.52) CNR1CNR2MCHR1ADRA2ABCHE
SCHEMBL6868622 0.91 ADRA2A (0.46) CNR1CNR2MCHR1ADRA2ABCHE
SCHEMBL6868628 0.91 ADRA2A (0.46) CNR1CNR2MCHR1ADRA2ABCHE
SCHEMBL13792947 0.88 MCHR1 (0.65) CNR1CNR2MCHR1ADRA2A
SCHEMBL6874888 0.83 MCHR1 (0.49) MCHR1ADRA2A
SCHEMBL6874892 0.83 MCHR1 (0.49) MCHR1ADRA2A
SCHEMBL6461772 0.81 MCHR1 (0.52) MCHR1ADRA2A
SCHEMBL6463779 0.81 MCHR1 (0.52) MCHR1ADRA2A
SCHEMBL6460482 0.80 CNR1 (0.53) CNR1CNR2MCHR1ADRA2ACHRM1
SCHEMBL6460488 0.80 CNR1 (0.53) CNR1CNR2MCHR1ADRA2ACHRM1

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP disclosed
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