SCHEMBL7677260

SCHEMBL7677260

NC(Cn1ccc2ccc(Br)cc21)OC(=O)/C=C/C(=O)OC(N)Cn1ccc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.45
HTR2A P28223 5/20 0.45
PRMT5 O14744 7/20 0.43
PRMT1 Q99873 1/20 0.40
HTR7 P34969 5/20 0.40
FGFR1 P11362 1/20 0.40
FGFR4 P22455 1/20 0.40
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL7673292 0.85 KMO (0.50) HTR2CHTR2APRMT5HTR7
SCHEMBL8959694 0.78 HTR2C (0.58) HTR2CHTR2APRMT5HDAC3HDAC1
SCHEMBL8959486 0.78 HTR2C (0.58) HTR2CHTR2APRMT5HDAC3HDAC1
SCHEMBL8959627 0.77 HTR2C (0.60) HTR2CHTR2AHDAC1HDAC8HDAC6
SCHEMBL7677257 0.73 HTR2C (0.43) HTR2CHTR2APRMT5PRMT1HTR7
SCHEMBL23927929 0.72 HTR2C (0.51) HTR2CHTR2APRMT5HTR7HDAC3
SCHEMBL7258385 0.72 HTR2C (0.50) HTR2CHTR2APRMT5PRMT1HTR7
SCHEMBL7253587 0.71 HTR2C (0.55) HTR2CHTR2APRMT5PRMT1HTR7
SCHEMBL7253589 0.71 HTR2C (0.55) HTR2CHTR2APRMT5PRMT1HTR7
SCHEMBL7253595 0.71 HTR2C (0.55) HTR2CHTR2APRMT5PRMT1HTR7

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-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 US disclosed