SCHEMBL21781859

SCHEMBL21781859

C=CC1(C)CCN(C(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 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
SCHEMBL17009531 0.77 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL14767403 0.73
SCHEMBL12385748 0.73 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL26935953 0.72 GRIN2D (0.45) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL10205028 0.72 GRIN2D (0.45) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL9455031 0.71
SCHEMBL3631436 0.70 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL117165 0.69 GRIN2D (0.46) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL28945186 0.69 GRIN2D (0.33) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL24308889 0.69 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed