SCHEMBL31379883

SCHEMBL31379883

CCN(CC)CCCC(C)Nc1nc(C)cc(NCCc2c[nH]c3ccccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
HTR6 P50406 1/20 0.49
MAPT P10636 1/20 0.49
RAC1 P63000 1/20 0.49
CCR4 P51679 5/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTR2A P28223 1/20 0.44
CACNA2D1 P54289 4/20 0.44
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3388179 1.00 HTR1A (0.49) HTR1AHTR6MAPTRAC1CCR4
SCHEMBL3388954 0.89 HTR1D (0.53) HTR1AMAPTRAC1CCR4HTR2A
SCHEMBL13019374 0.88 HTR2A (0.51) HTR1AHTR6MAPTHTR2AUSP2
SCHEMBL3389960 0.82 HTR1D (0.53) HTR1AMAPTRAC1CCR4HTR2A
SCHEMBL3390345 0.76 HTR1D (0.55) HTR1AMAPTHTR2AMEN1KMT2A
SCHEMBL3392632 0.72 RAC1 (0.58) MAPTRAC1CCR4CACNA2D1
SCHEMBL29839992 0.71 HTR2A (0.50) HTR1AHTR6HRH3HTR2AMEN1
SCHEMBL21996622 0.70 PAK4 (0.57) HTR1AHTR6MAPTHTR2AUSP2
SCHEMBL29839953 0.70 PAK4 (0.57) HTR1AHTR6MAPTHTR2AUSP2
Diethyltryptamine SCHEMBL517713 0.69 HTR1A (1.00) HTR1AHTR6MAPTHRH3HTR2A

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-2025027560-A1 NEW RHOJ/CDC42 INHIBITORS DEVELOPED FOR THE TREATMENT OF CANCER, BENIGN TUMORS, RETINAL DISORDERS, VASCULAR DISORDERS, AND CARDIOMYOPATHIES FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-02-06 WO disclosed