SCHEMBL20648007

SCHEMBL20648007

C=C(NCCCC)NCCc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.71
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ LMNA P02545 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ HTR2A P28223 2/20 0.58
▸ IDO1 P14902 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ MMP9 P14780 1/20 0.55
▸ AANAT Q16613 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MAPT P10636 2/20 0.55

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
SCHEMBL20648028 0.95 MTNR1A (0.69) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL1068274 0.83 MTNR1A (1.00) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL13645785 0.82 MTNR1A (0.69) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL12712632 0.82 MEN1 (0.74) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL11178880 0.82 HTR2A (0.75) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL13719678 0.80 MEN1 (0.72) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL29926356 0.80 MTNR1A (0.98) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL6646410 0.80 MTNR1A (0.88) MTNR1AMEN1KMT2ALMNACYP1A2
Nb-Acetyltryptamine SCHEMBL468850 0.79 MEN1 (1.00) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL1066221 0.79 MTNR1A (1.00) MTNR1AMEN1KMT2ALMNACYP1A2

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-2282735-B1 PP2A MODULATORS FOR TREATING ALZHEIMER, PARKINSON, DIABETES SIGNUM BIOSCIENCES INC (US) 2019-01-16 — — EP disclosed
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