SCHEMBL27254366

SCHEMBL27254366

C#CCN(C)CCNC(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.35
PYCR1 P32322 2/20 0.35
DNM1 Q05193 1/20 0.33
ACHE P22303 2/20 0.33
MAOA P21397 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL27254382 0.84 MEN1 (0.45) MAOBPYCR1DNM1ACHE
SCHEMBL27254355 0.84 ALDH1A1 (0.41) MAOBPYCR1DNM1ACHEMAOA
SCHEMBL8936036 0.80 MAOB (0.38) MAOBPYCR1ACHEMAOAKDM1A
SCHEMBL26550945 0.76 MAOB (0.35) MAOBPYCR1ACHEMAOAKDM1A
SCHEMBL20249048 0.75 DNM1 (0.53) DNM1
SCHEMBL24029587 0.73 MAOB (0.34) MAOBPYCR1ACHEKDM1A
SCHEMBL29726044 0.72 CA12 (0.41) DNM1HDAC1HDAC2HDAC8HDAC6
SCHEMBL3250569 0.72 TDP1 (0.45) MAOBMAOA
SCHEMBL943052 0.71
SCHEMBL8936028 0.70 MAOB (0.42) MAOBPYCR1MAOAKDM1A

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
WO-2024073486-A2 PROBES AND METHODS TO IDENTIFY LIGANDABLE FATTY ACYLATION SITES FOR THERAPEUTIC TARGET IDENTIFICATION THE GENERAL HOSPITAL CORPORATION (US) 2024-04-04 WO disclosed