SCHEMBL30337169

SCHEMBL30337169

O=C1C2CN(CC(c3ccccc3)c3ccccc3)CCN2C(=O)CN1Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.48
▸ ACHE P22303 1/20 0.37
▸ CLPP Q16740 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL24145710 0.88 HTR1A (0.40) HTR1AACHECLPP
SCHEMBL30337155 0.84 TACR1 (0.43) HTR1AACHEKMT2A
SCHEMBL30337191 0.83 HTR1A (0.47) HTR1ACLPPTSHRMEN1KMT2A
SCHEMBL30337119 0.83 HTR1A (0.48) HTR1AACHETSHR
SCHEMBL30337511 0.82 KMT2A (0.43) HTR1AACHECLPPFAAHKMT2A
SCHEMBL30337208 0.81 ENPP2 (0.43) HTR1AACHE
SCHEMBL24939928 0.79 HTR1A (0.43) HTR1ACLPPTSHRMEN1KMT2A
SCHEMBL24938889 0.76 HTR1A (0.42) HTR1AACHECLPPTSHR
SCHEMBL30337569 0.73 KDM4E (0.46) HTR1AFAAHMEN1KMT2A
SCHEMBL23335009 0.73 HTR1A (0.40) HTR1AACHETSHR

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-115916206-A Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same 治愈医药社株式会社 2023-04-04 — — CN disclosed
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