SCHEMBL24988646

SCHEMBL24988646

CCCCNc1cc(COCCOC)cc2cc(-c3ccccc3)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.44
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL29185291 0.94 NPY5R (0.45) NPY5RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30224798 0.94 NPY5R (0.45) NPY5RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30224822 0.94 NPY5R (0.41) NPY5RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30224769 0.92 NPY5R (0.40) NPY5RCYP3A4TUBB4ATUBBTUBA3C
SCHEMBL29185299 0.92 NPY5R (0.40) NPY5RCYP3A4TUBB4ATUBBTUBA3C
SCHEMBL29185262 0.87 NPY5R (0.37) NPY5RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30224927 0.87 NPY5R (0.37) NPY5RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30224964 0.86 NPY5R (0.44) NPY5RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29185270 0.86 NPY5R (0.44) NPY5RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25014988 0.86 NPY5R (0.45) NPY5RTUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN claimed
CN-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed