SCHEMBL30516673

SCHEMBL30516673

COc1ccc(C(=O)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.74
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
SIGMAR1 Q99720 2/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
CHRM2 P08172 1/20 0.61
CHRM3 P20309 1/20 0.61
MCHR1 Q99705 1/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
POLB P06746 1/20 0.60
ACHE P22303 1/20 0.60

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
SCHEMBL10340077 0.88 HTR2A (0.76) SLC18A3HTR2AHTR2C
SCHEMBL7412406 0.87 MEN1 (0.66) SLC18A3MEN1KMT2AMCHR1LMNA
Hydrochloric Acid SCHEMBL9649705 0.86 HTR2A (0.74) SLC18A3HTR2AHTR2C
SCHEMBL6344464 0.86 HTR2A (0.73) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL9980817 0.86 SLC18A3 (1.00) SLC18A3
SCHEMBL9980741 0.86 SLC18A3 (1.00) SLC18A3
SCHEMBL21926939 0.85 KDM2B (0.69) SLC18A3MEN1KMT2A
SCHEMBL10963541 0.85 KCNH2 (0.73) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL6154035 0.85 HTR2A (0.69) SLC18A3MEN1KMT2AHTR2AHTR2C
SCHEMBL5535917 0.84 CHRM2 (0.63) SLC18A3HTR2AHTR2CHTR2BCHRM2

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
CN-116529252-A Prodrugs for sustained release of therapeutic agents and uses thereof 重庆两江药物研发中心有限公司 2023-08-01 CN disclosed