SCHEMBL11224906

SCHEMBL11224906

O=C(CCl)N1CCc2ccc(Cl)cc21

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.68
DRD2 P14416 6/20 0.64
DRD4 P21917 5/20 0.64
XIAP P98170 1/20 0.57
BIRC2 Q13490 1/20 0.57
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HSD17B3 P37058 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR2B P41595 1/20 0.48
TSHR P16473 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
CASP3 P42574 1/20 0.45
CASP2 P42575 1/20 0.45
MAPT P10636 1/20 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
SCHEMBL6966671 0.88 NOTUM (0.64) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL8895360 0.88 NOTUM (0.68) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL27436767 0.83 XIAP (0.56) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL8901483 0.82 NOTUM (0.65) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL4111792 0.82 NOTUM (0.73) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL21425060 0.82 NOTUM (0.73) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL5795715 0.81 NOTUM (1.00) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL5793078 0.81 NOTUM (1.00) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL16600474 0.81 NOTUM (0.71) NOTUMDRD2DRD4XIAPBIRC2
SCHEMBL8893534 0.80 XIAP (0.58) NOTUMDRD2DRD4XIAPBIRC2

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
JP-57200360-A None JP disclosed
JP-S57200360-A INDOLINE DERIVATIVE AND GERMICIDE CONTAINING THE SAME IHARA CHEM IND CO LTD 1982-12-08 JP disclosed