SCHEMBL25811714

SCHEMBL25811714

CC(C)CCCCCC(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.67
▸ HTR1D P28221 3/20 0.66
▸ HTR1B P28222 3/20 0.66
▸ HTR2C P28335 2/20 0.66
▸ HTR7 P34969 2/20 0.66
▸ HTR6 P50406 2/20 0.66
▸ HTR1A P08908 2/20 0.66
▸ ADRB1 P08588 1/20 0.66
▸ ADRA2A P08913 1/20 0.66
▸ SLC6A2 P23975 1/20 0.66
▸ HTR1E P28566 1/20 0.66
▸ SLC6A4 P31645 1/20 0.66
▸ HTR2B P41595 1/20 0.66
▸ SLC6A3 Q01959 1/20 0.66
▸ KDM4E B2RXH2 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MPO P05164 2/20 0.52
▸ APAF1 O14727 1/20 0.52

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
SCHEMBL25811159 0.91 HTR2A (0.70) HTR2AHTR1DHTR1BHTR2CHTR7
Hydrochloric Acid SCHEMBL18425954 0.90 HTR2A (0.68) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL28417220 0.89 HTR2A (0.71) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL30282858 0.85 HTR2A (0.75) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL16973850 0.85 HTR2A (0.75) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL21292843 0.85 HTR2A (0.75) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL29411007 0.85 HTR2A (0.75) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL18822721 0.85 HTR2A (0.74) HTR2AHTR1DHTR1BHTR2CHTR7
Hydrochloric Acid SCHEMBL18426570 0.84 HTR2A (0.73) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL7863739 0.84 HTR2A (0.68) HTR2AHTR1DHTR1BHTR2CHTR7

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
WO-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 — — WO disclosed
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