SCHEMBL24015503

SCHEMBL24015503

CC(=O)NC1CCCn2nccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MTNR1A P48039 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
PDE2A O00408 2/20 0.34
BRD3 Q15059 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
RECQL P46063 1/20 0.33
HDAC4 P56524 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
RIPK1 Q13546 1/20 0.33
PDE3B Q13370 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
SCHEMBL25592889 0.84 CCR2 (0.46) DRD2HTR2ADRD3
SCHEMBL19044201 0.72 IDO1 (0.36) PDE2ADRD2DRD3
SCHEMBL16923818 0.72 RECQL (0.35) KDM4ERECQLDRD2DRD3
SCHEMBL21672118 0.69 DRD2 (0.32) DRD2DRD3
SCHEMBL18888880 0.69 CHRNB4 (0.33) DRD2DRD3
SCHEMBL24879795 0.68 SMPD3 (0.39) KDM4ERIPK1
SCHEMBL20646520 0.67 IDO1 (0.35)
SCHEMBL22460274 0.66 DRD2 (0.38) DRD2DRD3
SCHEMBL20869972 0.65 DRD2 (0.32) DRD2DRD3
SCHEMBL24015489 0.65 KDM4E (0.40) KDM4ECYP11B1CYP11B2

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-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed