SCHEMBL20618352

SCHEMBL20618352

CC(C)NC(O)Cn1ccc2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.51
PRMT5 O14744 7/20 0.49
HTR2C P28335 4/20 0.49
HTR2A P28223 3/20 0.49
PRMT1 Q99873 1/20 0.46
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
NTSR1 P30989 1/20 0.39

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
SCHEMBL7253589 0.84 HTR2C (0.55) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL7253595 0.84 HTR2C (0.55) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL7253587 0.84 HTR2C (0.55) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL24142902 0.81 HTR7 (0.63) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL7253255 0.80 PRMT5 (0.48) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL27642179 0.77 HTR2C (0.48) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL7258385 0.76 HTR2C (0.50) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL7258397 0.75 HTR2C (0.52) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL7258395 0.75 HTR2C (0.52) HTR7PRMT5HTR2CHTR2APRMT1
SCHEMBL20612088 0.74 SMN1; SMN2 (0.67) HTR7PSMB1PSMB5NTSR1

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
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed