SCHEMBL9200955

SCHEMBL9200955

O=C(O)NCCCCc1ccc2c(ccn2Cc2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
MAOB P27338 2/20 0.42
HDAC8 Q9BY41 7/20 0.42
HDAC6 Q9UBN7 7/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC3 O15379 5/20 0.42
HDAC11 Q96DB2 2/20 0.41
HTR6 P50406 1/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNQ4 P56696 2/20 0.39
KCNQ5 Q9NR82 2/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL9196106 0.85 MAOB (0.46) MAOBHDAC8HDAC6HDAC1HDAC2
SCHEMBL9152485 0.80 NAMPT (0.40) S1PR1HDAC6PLGPLAU
SCHEMBL8544945 0.77 SLC6A2 (0.57) S1PR1OXER1
SCHEMBL2846899 0.76 SMN1; SMN2 (0.50) HDAC8HDAC6HDAC2EPHX2
SCHEMBL334624 0.75 TRPV1 (0.53) HDAC8HDAC6HDAC2
SCHEMBL2840635 0.75 TRPV1 (0.53) HDAC8HDAC6HDAC2
SCHEMBL6840362 0.74 PLG (0.53) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL8543277 0.73 SLC6A2 (0.58) S1PR1OXER1
SCHEMBL14117294 0.73 HTR6 (0.48) MAOBHDAC8HDAC6HDAC1HDAC2
SCHEMBL8845719 0.72 HDAC11 (0.45) HDAC8HDAC6HDAC11

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