SCHEMBL10399883

SCHEMBL10399883

CC(=O)N(CCC1CCCCC1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACHE P22303 3/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ATM Q13315 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A4 P31645 2/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46

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
SCHEMBL21400325 0.77 HDAC1 (0.55) MEN1KMT2AHDAC1HDAC6CHRM2
SCHEMBL8773484 0.77 HDAC1 (0.61) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL2117209 0.76 LMNA (0.62) MEN1KMT2AKDM4EALDH1A1NPSR1
SCHEMBL3662061 0.75 LMNA (0.58) MEN1KMT2AALDH1A1HDAC1HDAC6
SCHEMBL2186353 0.75 RCE1 (0.56) MEN1KMT2AKDM4EALDH1A1HDAC1
SCHEMBL678725 0.75 L3MBTL1 (0.54) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL8395278 0.75 ACHE (0.67) MEN1KMT2AACHEALDH1A1HTT
SCHEMBL4073987 0.74 NPC1 (0.64) MEN1KMT2ASLC6A4
Hydrochloric Acid SCHEMBL22407358 0.74 MEN1 (0.50) MEN1KMT2AACHESLC6A4LPAR1
SCHEMBL16109508 0.74 HDAC1 (0.62) MEN1KMT2AALDH1A1HTTNPSR1

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
US-4977144-A ADENOSINE AGONISTS CIBA-GEIGY CORPORATION (US) 1990-12-11 US disclosed
EP-0354180-A2 Certain imidazo[4,5-b]pyridine derivatives CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed