SCHEMBL11680163

SCHEMBL11680163

CCCCNC(=O)NN1CCN(CCc2cn(CC)c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ PADI4 Q9UM07 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CDC25A P30304 1/20 0.42
▸ ICMT O60725 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ ADRA1D P25100 4/20 0.40
▸ ADRA1A P35348 2/20 0.40

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
SCHEMBL11680166 0.74 BCHE (0.48) MEN1KMT2AGAA
SCHEMBL11680841 0.68 HTR2A (0.57) HDAC1HDAC8HDAC3HDAC2MEN1
SCHEMBL12558479 0.67 PADI4 (0.55) POLBMEN1KMT2APADI4TP53
SCHEMBL11681773 0.67 MEN1 (0.46) POLBMEN1KMT2ALMNATP53
SCHEMBL798123 0.66 KMT2A (0.55) POLBHDAC1HDAC8HDAC3HDAC2
Ammonia Solution, Strong SCHEMBL15466974 0.66 PADI4 (0.53) POLBMEN1KMT2APADI4TP53
SCHEMBL9210193 0.66 PLK1 (0.58) POLBMEN1KMT2APADI4LMNA
SCHEMBL9208449 0.65 POLB (0.68) POLBMEN1KMT2APADI4HDAC6
SCHEMBL19650682 0.65 HTR6 (0.55) POLBMEN1KMT2APADI4LMNA
SCHEMBL598819 0.65 ALDH1A1 (0.57) MEN1KMT2ALMNAGAARAD52

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-4024258-A Composition of and method for reducing hypertension with a 1-[1-(indol-3-ylethyl)-piperazin-4-yl]-3-substituted urea AMERICAN HOECHST CORPORATION (US) 1977-05-17 — — US disclosed
US-3948918-A HYPOTENSIVE AMERICAN HOECHST CORPORATION (US) 1976-04-06 — — US disclosed
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