SCHEMBL10845902

SCHEMBL10845902

COc1ccccc1CN(C(=O)CCl)C(C)=C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
ACHE P22303 6/20 0.44
BCHE P06276 5/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSPO P30536 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
YAP1 P46937 1/20 0.42
BLM P54132 1/20 0.42
TEAD4 Q15561 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3967969 0.72 GAA (0.51) MEN1KMT2AACHEBCHEGAA
SCHEMBL31186753 0.72 MEN1 (0.55) MEN1CRHBPKMT2ACRHR2ACHE
Acetone SCHEMBL27450214 0.72 MTNR1A (0.56) MTNR1AMTNR1BMEN1KMT2ACHRM2
SCHEMBL7569801 0.70 TSPO (0.65) TSPO
SCHEMBL415222 0.69 ACHE (0.63) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL3005345 0.69 TAAR1 (0.54) MTNR1AMTNR1BMEN1KMT2AGAA
SCHEMBL11329375 0.69 ACHE (0.55) MTNR1AMTNR1BMEN1CRHBPKMT2A
SCHEMBL21306338 0.68 MEN1 (0.56) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL17276760 0.68 TSPO (0.59) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL10243116 0.68 APP (0.53) MTNR1AMTNR1BMEN1KMT2AACHE

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
US-4622061-A Herbicidal 2-haloacetamides MONSANTO COMPANY (US) 1986-11-11 US claimed