SCHEMBL12712632

SCHEMBL12712632

C=C(C)NCCc1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ LMNA P02545 1/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ PKM P14618 1/20 0.74
▸ TSHR P16473 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ HTR2A P28223 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ HTR1A P08908 1/20 0.65
▸ HTT P42858 1/20 0.65
▸ IDO1 P14902 1/20 0.64
▸ MMP9 P14780 1/20 0.62
▸ AANAT Q16613 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ SIRT1 Q96EB6 2/20 0.60
▸ MTNR1A P48039 1/20 0.60

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
SCHEMBL13609793 0.87 MEN1 (0.77) MEN1KMT2ALMNACYP1A2PKM
Nb-Acetyltryptamine SCHEMBL468850 0.85 MEN1 (1.00) MEN1KMT2ALMNACYP1A2PKM
Nb-Acetyltryptamine SCHEMBL29669230 0.84 MEN1 (0.97) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL20648007 0.82 MTNR1A (0.71) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL13719678 0.80 MEN1 (0.72) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL176108 0.80 IDO1 (0.70) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL6394942 0.80 MEN1 (0.76) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL20648028 0.80 MTNR1A (0.69) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL20393016 0.80 MEN1 (0.58) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL28447148 0.80 ALDH1A1 (0.57) MEN1KMT2ALMNACYP1A2PKM

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-2305808-A1 Templated molecules and methods for using such molecules Nuevolution A/S (DK) 2011-04-06 — — EP disclosed
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