SCHEMBL30864980

SCHEMBL30864980

C1=NCCn2c1cc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
ADRA2A P08913 1/20 0.33
NOTUM Q6P988 1/20 0.32
SLC6A2 P23975 1/20 0.31
SIGMAR1 Q99720 3/20 0.31
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL29538429 0.85 HTR2A (0.39) HTR2AHTR2CADRA2ANOTUMSLC6A2
SCHEMBL4017486 0.85 HTR2A (0.39) HTR2AHTR2CADRA2ANOTUMSLC6A2
SCHEMBL1383923 0.72 HTR2A (0.43) HTR2AHTR2CNOTUMSIGMAR1KMT2A
SCHEMBL3203395 0.69 HTR2A (0.35) HTR2AHTR2CNOTUM
SCHEMBL2764410 0.68 HTR2A (0.51) HTR2AHTR2CADRA2ANOTUMSIGMAR1
SCHEMBL14382337 0.67 HTR2A (0.45) HTR2AHTR2CNOTUMSIGMAR1KMT2A
SCHEMBL1864062 0.64 HTR2A (0.40) HTR2AHTR2CNOTUMSIGMAR1KMT2A
SCHEMBL29851785 0.64 HTR2A (0.40) HTR2AHTR2CNOTUMSIGMAR1KMT2A
SCHEMBL8321637 0.64 HTR2A (0.39) HTR2AHTR2CNOTUMSIGMAR1ALDH1A1
SCHEMBL18911621 0.63 HTR2A (0.73) HTR2AHTR2CNOTUMSIGMAR1HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102212-A1 MACROCYCLIC MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2026-05-15 WO disclosed
WO-2025077825-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIO-PULMONARY DISORDERS FAUNA BIO INCORPORATED (US) 2025-04-17 WO disclosed
CN-117693506-A Allosteric ketone inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2024-03-12 CN disclosed