SCHEMBL24016455

SCHEMBL24016455

CC(=O)NCCc1cccc(F)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
MTNR1A P48039 10/20 0.46
MTNR1B P49286 10/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
F13A1 P00488 1/20 0.45
NQO2 P16083 3/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL15745622 0.85 NPSR1 (0.77) NPSR1CA12CA4CA7CA9
SCHEMBL25591544 0.84 ALDH1A1 (0.47) NPSR1HTTKDM4E
SCHEMBL14562253 0.81 NPSR1 (0.56) NPSR1MTNR1AMTNR1BHTTCA12
SCHEMBL9297778 0.80 NPSR1 (0.54) NPSR1MTNR1AMTNR1BHTTCA12
SCHEMBL12344353 0.79 NPSR1 (0.53) NPSR1MTNR1AMTNR1BHTTCA12
SCHEMBL9296706 0.76 NPSR1 (0.50) NPSR1MTNR1AMTNR1BHTTCA12
SCHEMBL3039143 0.76 NPSR1 (0.50) NPSR1MTNR1AMTNR1BHTTCA12
SCHEMBL26046013 0.75 NPSR1 (0.43) NPSR1
SCHEMBL9298115 0.75 NPSR1 (0.49) NPSR1MTNR1AMTNR1BHTTCA12
SCHEMBL48652 0.75 HRH3 (0.61) HTT

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