SCHEMBL25703545

SCHEMBL25703545

COc1ccccc1N1CCN(CCCCCCn2c3c(c4ccccc42)CCC=C3)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 16/20 0.58
HTR1A P08908 14/20 0.58
HTR1D P28221 4/20 0.55
HTR1B P28222 4/20 0.55
HTR2A P28223 4/20 0.55
HTR2C P28335 4/20 0.55
HTR2B P41595 4/20 0.55
KCNH2 Q12809 2/20 0.55
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR5A P47898 2/20 0.53

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
SCHEMBL25703488 0.97 HTR7 (0.55) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL18028066 0.83 HTR7 (0.71) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL18010380 0.83 HTR7 (0.71) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL18010351 0.83 HTR7 (0.71) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL18010368 0.82 HTR7 (0.70) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL14292491 0.80 ABCB1 (0.47) HTR7
SCHEMBL18010356 0.80 DRD2 (0.67) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL25703565 0.79 HTR7 (0.49) HTR7HTR1AMEN1KMT2A
SCHEMBL10063550 0.77 MAOA (0.47)
SCHEMBL10063548 0.77 NPC1 (0.50) MEN1KMT2A

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-2023120963-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING LUNG CANCER COMPRISING CARBAZOLE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT 한국과학기술연구원 2023-06-29 WO disclosed