SCHEMBL7679844

SCHEMBL7679844

CC(Cn1ccc2ccc(Cl)cc21)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPY5R Q15761 1/20 0.40
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.40
APOBEC3A P31941 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PRMT5 O14744 1/20 0.40
TP53 P04637 1/20 0.39
ACLY P53396 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL7679840 1.00 KMO (0.46) KMOHTR2AHTR2CSMN1; SMN2KDM4E
SCHEMBL8904901 0.84 HTR2C (0.56) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL1435876 0.82 MTNR1A (0.44) HTR2CSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1435874 0.82 MTNR1A (0.44) HTR2CSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7674622 0.79 HTR2C (0.43) HTR2AHTR2CSMN1; SMN2KDM4EALDH1A1
SCHEMBL7674627 0.79 HTR2C (0.43) HTR2AHTR2CSMN1; SMN2KDM4EALDH1A1
SCHEMBL7671707 0.79 KMO (0.54) KMOSMN1; SMN2MAPTBRD4
SCHEMBL7677110 0.78 HTR2C (0.42) HTR2AHTR2CSMN1; SMN2KDM4EALDH1A1
SCHEMBL7677108 0.78 HTR2C (0.42) HTR2AHTR2CSMN1; SMN2KDM4EALDH1A1
SCHEMBL24110639 0.77 FLT1 (0.42) HTR2AHTR2CTRPA1

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