SCHEMBL23739950

SCHEMBL23739950

CNC(=O)C(CCC=O)N1Cc2c(CCCCCN3CCOCC3)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ TERT O14746 2/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL23739920 0.90 HTR1A (0.42) MEN1KMT2AHTR1ADRD2HTR6
SCHEMBL23739853 0.87 HTR7 (0.43) MEN1KMT2APARP2HTR1ADRD2
SCHEMBL24160437 0.87 NPSR1 (0.39) MEN1KMT2ANPSR1POLBKDM4E
SCHEMBL23739600 0.87 KDM4E (0.40) MEN1KMT2ANPSR1KDM4ESMN1; SMN2
SCHEMBL23739905 0.87 DRD2 (0.45) HTR1ADRD2HTR6
SCHEMBL23739497 0.86 THRB (0.33) MEN1KMT2APOLBKDM4E
SCHEMBL23739669 0.86 DRD2 (0.37) HTR1ADRD2HTR6
SCHEMBL23739676 0.85 HTR1A (0.44) KDM4EHTR1ADRD2HTR6
SCHEMBL23739671 0.85 ADRA1B (0.40) MEN1KMT2ACNR1HTR1ADRD2
SCHEMBL23739921 0.85 DRD2 (0.41) HTR1ADRD2HTR6

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
EP-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
Send feedback