SCHEMBL25353201

SCHEMBL25353201

N#Cc1cccc(CN2CCN3C(=O)c4cc(Br)ccc4NC(=O)C3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.42
▸ DRD4 P21917 1/20 0.40
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ ROCK2 O75116 3/20 0.39
▸ CRBN Q96SW2 3/20 0.38
▸ DDB1 Q16531 2/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ IKZF3 Q9UKT9 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MLNR O43193 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36

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
SCHEMBL30517878 1.00 CHRM3 (0.42) CHRM3DRD4PIK3R1PIK3CAFAAH
SCHEMBL25354038 0.81 IKZF2 (0.43) DRD4CRBNDDB1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL30517887 0.79 SLC2A1 (0.44) CHRM3DRD4FAAHTACR1
Trifluoroacetic Acid SCHEMBL25350944 0.79 SLC2A1 (0.44) CHRM3DRD4FAAHTACR1
SCHEMBL25353722 0.79 ALDH1A1 (0.55) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL25353734 0.78 NOTUM (0.47) CRBNIKZF3TACR1
SCHEMBL30517888 0.77 MEN1 (0.37) DRD4CRBNDDB1KDM4EALDH1A1
SCHEMBL25353872 0.77 MEN1 (0.37) DRD4CRBNDDB1KDM4EALDH1A1
SCHEMBL25352010 0.77 PLK4 (0.41) KDM4EALDH1A1
SCHEMBL25351721 0.75 HTR1A (0.41) CHRM3CRBNDDB1KDM4ESMN1; SMN2

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-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 — — WO disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 — — WO disclosed
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