SCHEMBL9648449

SCHEMBL9648449

COc1cccc(C(=O)CCl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
APLNR P35414 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8237566 0.84 CYP1A2 (0.44) CTSAKDM4EMEN1KMT2AGAA
SCHEMBL3433496 0.83 GSK3B (0.43) CTSAKDM4EMEN1KMT2AGAA
SCHEMBL31678819 0.83 GSK3B (0.43) CTSAKDM4EMEN1KMT2AGAA
SCHEMBL3403968 0.81 CTSA (0.45) CTSAKDM4EMEN1KMT2AGAA
SCHEMBL15019936 0.80 KDM4E (0.44) CTSAKDM4EMEN1KMT2AGAA
SCHEMBL24443478 0.80 CTSA (0.44) CTSAKDM4EMEN1KMT2AGAA
SCHEMBL29689811 0.80 CTSA (0.44) CTSAKDM4EMEN1KMT2AGAA
SCHEMBL8866132 0.80 CTSA (0.45) CTSAKDM4EMEN1KMT2AGAA
SCHEMBL6578005 0.79 CYP1A2 (0.55) KDM4EMEN1KMT2AGAACYP1A2
SCHEMBL9364903 0.79 CTSA (0.38) CTSAKDM4EMEN1KMT2AGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
US-4863939-A Heteroarylethylamine as production promoters in livestock BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0256420-A2 Heteroarylethyl amines, process for their synthesis and their use in the promotion of animal performance BAYER AG (DE) 1988-02-24 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP disclosed