SCHEMBL7976809

SCHEMBL7976809

COc1ccc2[nH]c(C)c(CC(=O)NCCNCCNC(=O)CCCc3c[nH]c4ccccc34)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC1 Q13547 8/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL7960856 0.83 AKR1C2 (0.67) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL7973964 0.80 AKR1C2 (0.61) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL5121733 0.79 HDAC1 (0.78) MTNR1AMTNR1BHDAC1HDAC3HDAC4
SCHEMBL798104 0.77 MTNR1A (0.72) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL7972523 0.77 MEN1 (0.81) MTNR1AMEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL7960692 0.76 MEN1 (0.79) MTNR1AMEN1KMT2AKDM4EMAPT
SCHEMBL7973960 0.76 AKR1C2 (0.60) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL7974250 0.75 MEN1 (0.77) MTNR1AMEN1KMT2AKDM4EMAPT
SCHEMBL7696769 0.74 AKR1C2 (0.67) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL8717161 0.74 MTNR1A (0.76) MTNR1AMTNR1BMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO claimed
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO disclosed