SCHEMBL7538764

SCHEMBL7538764

COc1ccc(Br)cc1CSc1ccccc1C1=NCCCN1CC(C)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.39
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7539124 0.87 MC4R (0.39) MC4RALDH1A1MEN1KMT2AKDM4E
SCHEMBL4363678 0.83 KDM4E (0.40) MC4RALDH1A1MEN1KMT2AKDM4E
SCHEMBL4824573 0.80 KMT2A (0.43) MC4RMEN1KMT2AKDM4ETP53
SCHEMBL4363581 0.79 KDM4E (0.51) MC4RALDH1A1MEN1KMT2AKDM4E
SCHEMBL4823163 0.78 KDM4E (0.40) MC4RALDH1A1MEN1KMT2AKDM4E
SCHEMBL7540521 0.77 MC4R (0.37) MC4RALDH1A1MEN1KMT2AKDM4E
SCHEMBL7207525 0.73 MC4R (0.43) MC4RALDH1A1MEN1KMT2AKDM4E
SCHEMBL4064122 0.71 MC4R (0.56) MC4RKMT2A
SCHEMBL4007992 0.70 MC4R (0.39) MC4RALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4008428 0.69 MC4R (0.63) MC4RKMT2A

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
EP-1204645-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP claimed
WO-2001010842-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-15 WO claimed