SCHEMBL31076159

SCHEMBL31076159

OC1CNc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
EPHX2 P34913 1/20 0.45
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2152470 1.00 MTNR1A (0.47) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL15265663 1.00 MTNR1A (0.47) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL15265894 1.00 MTNR1A (0.47) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL24325925 0.80 MTNR1A (0.39) MTNR1AMTNR1BEPHX2MAPTALOX15
SCHEMBL29570685 0.80 MTNR1A (0.39) MTNR1AMTNR1BEPHX2MAPTALOX15
SCHEMBL8986731 0.79 BRD4 (0.55) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL2620988 0.79 BRD4 (0.55) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL9965445 0.79 BRD4 (0.55) MTNR1AMTNR1BEPHX2GAAMAPT
Hydrochloric Acid SCHEMBL8017393 0.78 BRD4 (0.53) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL3825586 0.75 PLAU (0.45) MTNR1AMTNR1BEPHX2GAAMAPT

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-4469164-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2024169914-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-08-22 WO disclosed