SCHEMBL8884153

SCHEMBL8884153

CCC(=O)NOCc1csc2ccc(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.57
MTNR1B P49286 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8892513 0.88 MTNR1A (0.66) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL8883211 0.87 MTNR1A (0.54) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL8883208 0.85 MTNR1A (0.51) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL8888429 0.81 MTNR1A (0.51) MTNR1AMTNR1BKDM4EHPGD
SCHEMBL8884785 0.79 MTNR1A (0.55) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL8882996 0.78 MTNR1A (0.56) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL8617176 0.77 MTNR1A (0.54) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL28559146 0.77 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL8659213 0.77 MTNR1A (0.84) MTNR1AMTNR1B
SCHEMBL8886559 0.76 MTNR1A (0.69) MTNR1AMTNR1BSMN1; SMN2KDM4E

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-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed