SCHEMBL28575855

SCHEMBL28575855

O=C(O)c1ccccc1NC(=O)c1cn(CC2CCCCC2)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.68
SLC22A12 Q96S37 1/20 0.59
CNR2 P34972 7/20 0.54
P2RX7 Q99572 1/20 0.53
CREBBP Q92793 1/20 0.50

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
SCHEMBL28576564 0.89 CNR1 (0.61) CNR1CNR2P2RX7
SCHEMBL3105128 0.86 CNR1 (0.72) CNR1CNR2P2RX7
SCHEMBL24437217 0.82 CNR1 (0.66) CNR1CNR2P2RX7
SCHEMBL28579574 0.81 SLC22A12 (0.64) CNR1SLC22A12CNR2
SCHEMBL7291968 0.80 CNR1 (0.62) CNR1CNR2
SCHEMBL28577420 0.79 SLC22A12 (0.72) CNR1SLC22A12CNR2
SCHEMBL16173799 0.77 CNR1 (0.67) CNR1CNR2P2RX7
SCHEMBL1606397 0.77 CNR1 (0.60) CNR1CNR2P2RX7
SCHEMBL24437378 0.77 CNR1 (0.60) CNR1CNR2P2RX7
SCHEMBL28732021 0.77 CNR1 (0.66) CNR1CNR2P2RX7

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
CN-113004188-B Indole derivative, preparation method and application 沈阳药科大学 2022-09-20 CN disclosed
CN-113004188-A Indole derivative, preparation method and application 沈阳药科大学 2021-06-22 CN disclosed