SCHEMBL27768210

SCHEMBL27768210

CN(CCOC(=O)NC(C)(C)C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
LSS P48449 3/20 0.33
NR1H4 Q96RI1 1/20 0.33
ACHE P22303 1/20 0.32
BCHE P06276 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
CHRM5 P08912 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL25595752 0.79 CHRNB2 (0.50) MAPTACHEBCHESMN1; SMN2CHRM2
SCHEMBL28251874 0.75 CHRNB2 (0.33) MAPTBCHECHRM2CHRM4CHRM1
SCHEMBL28098386 0.73 GAA (0.41) MAPTACHEBCHESMN1; SMN2CHRM2
SCHEMBL27802520 0.70 MEN1 (0.50) MAPTMEN1KMT2AATM
SCHEMBL27969838 0.70 L3MBTL1 (0.43) MAPTNR1H4ACHEMEN1KMT2A
SCHEMBL17660228 0.69 ACHE (0.47) ACHESMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL21016721 0.69 ACHE (0.42) ACHEMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9773688 0.69 BLM (0.32) MAPTMEN1KMT2ACHRM2CHRM4
SCHEMBL27921664 0.68 SLC13A3 (0.42) ACHEMEN1KMT2ASMN1; SMN2CHRM2
SCHEMBL25518973 0.68 CNR2 (0.40) MAPTACHEBCHEMEN1KMT2A

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-102617580-A Vasopressin V1a Antagonists FERRING BV 2012-08-01 CN disclosed
CN-101563347-A Vasopressin V1a antagonists VANTIA LTD (GB) 2009-10-21 CN disclosed