SCHEMBL9200950

SCHEMBL9200950

CCCCN(C(=O)O)c1ccc2c(ccn2Cc2ccncc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNQ4 P56696 2/20 0.43
KCNQ5 Q9NR82 2/20 0.43
ERBB4 Q15303 1/20 0.41
HTR6 P50406 1/20 0.40
SLC6A2 P23975 4/20 0.39
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC11 Q96DB2 2/20 0.38
MAOB P27338 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL9200859 0.83 HTR6 (0.50) HTR6HDAC8HDAC6HDAC11MAOB
SCHEMBL9581190 0.83 HTR6 (0.43) KCNQ3KCNQ2KCNQ4KCNQ5ERBB4
SCHEMBL8544943 0.80 SLC6A2 (0.62) SLC6A2
SCHEMBL6840362 0.74 PLG (0.53) HTR6HDAC8HDAC6HDAC11HDAC3
SCHEMBL8543271 0.73 SLC6A2 (0.66) SLC6A2
SCHEMBL8544197 0.72 BCHE (0.49) SLC6A2
SCHEMBL14117294 0.72 HTR6 (0.48) KCNQ3KCNQ2KCNQ4KCNQ5ERBB4
SCHEMBL8845719 0.72 HDAC11 (0.45) HDAC8HDAC6HDAC11
Hydrochloric Acid SCHEMBL8543732 0.72 BCHE (0.49) SLC6A2
Hydrochloric Acid SCHEMBL8845628 0.71 HDAC11 (0.44) KCNQ3KCNQ2KCNQ4KCNQ5HDAC8

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-0471298-B1 Carbamoyl-1-(pyridinylalkyl)-1H-indoles, indolines and related analogs HOECHST ROUSSEL PHARMA (US) 1995-11-02 EP claimed