SCHEMBL9492873

SCHEMBL9492873

COc1ccc2ccc(CCNC(=O)C(C)C)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.62
NQO2 P16083 1/20 0.62
KDM4E B2RXH2 3/20 0.59
TP53 P04637 2/20 0.59
MAPT P10636 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA9 Q16790 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL9491759 0.85 SMN1; SMN2 (0.70) MTNR1AKDM4ETP53MAPTSMN1; SMN2
SCHEMBL17040271 0.85 CES2 (0.61) MTNR1ANQO2KDM4EMAPTCYP1A2
SCHEMBL7904484 0.84 SMN1; SMN2 (0.69) MTNR1ANQO2KDM4ESMN1; SMN2NPC1
SCHEMBL9493169 0.83 MTNR1A (0.60) MTNR1AKDM4ETP53MAPTSMN1; SMN2
SCHEMBL3719877 0.82 SMN1; SMN2 (0.74) MTNR1AKDM4ETP53MAPTSMN1; SMN2
SCHEMBL9490605 0.82 SMN1; SMN2 (0.55) MTNR1AKDM4ETP53MAPTSMN1; SMN2
SCHEMBL9490706 0.82 SMN1; SMN2 (0.55) MTNR1AKDM4ETP53MAPTSMN1; SMN2
SCHEMBL9130202 0.82 MTNR1A (0.61) MTNR1AKDM4ETP53MAPTSMN1; SMN2
SCHEMBL9496042 0.82 SMN1; SMN2 (0.55) KDM4ETP53MAPTSMN1; SMN2NPC1
SCHEMBL9490321 0.81 MTNR1A (0.60) MTNR1AKDM4ETP53MAPTHSD17B10

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-5225442-A Melatoninergic disorders ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed