SCHEMBL20017955

SCHEMBL20017955

C=N/C=C(\C)CNCCc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.58
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ G6PD P11413 1/20 0.52
▸ AANAT Q16613 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7037221 0.77 MC5R (0.73) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL17232881 0.77 MC5R (0.83) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL3427633 0.77 MC5R (0.64) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL12059084 0.76 HTR2A (0.65) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL7970552 0.75 MC5R (0.81) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL660463 0.75 MC5R (0.66) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL29489675 0.75 MC5R (0.66) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL9542634 0.74 HTR2A (0.63) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL1972829 0.74 HTR2A (1.00) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL30094716 0.73 MC5R (0.68) HTR2AMC5RMC3RMC1RKMT2A

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-3099684-B1 HETEROARYL AMIDES AS INHIBITORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES INC (US) 2018-04-04 — — EP disclosed
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