SCHEMBL30337191

SCHEMBL30337191

O=C1C2CN(Cc3ccc(-c4ccccc4)cc3)CCN2C(=O)CN1Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CLPP Q16740 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTNNB1 P35222 2/20 0.38
▸ TCF7 P36402 2/20 0.38
▸ BCL9 O00512 1/20 0.38
▸ TCF4 P15884 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ DRD2 P14416 1/20 0.38

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
SCHEMBL24145803 0.88 ENPP2 (0.48) HTR1ATSHRENPP2THRBDRD2
SCHEMBL30337246 0.86 ENPP2 (0.47) HTR1AKMT2AENPP2THRBDRD2
SCHEMBL30337166 0.85 KDM4E (0.43) HTR1AENPP2THRBDRD2
SCHEMBL30337235 0.84 HTR1A (0.43) HTR1AENPP2THRB
SCHEMBL30337119 0.84 HTR1A (0.48) HTR1ATSHRDRD2
SCHEMBL30337060 0.84 KMT2A (0.49) HTR1ACLPPMEN1KMT2AENPP2
SCHEMBL24939928 0.83 HTR1A (0.43) HTR1ATSHRCLPPMEN1KMT2A
SCHEMBL30337169 0.83 HTR1A (0.48) HTR1ATSHRCLPPMEN1KMT2A
SCHEMBL24145684 0.81 FAAH (0.39) HTR1ATSHRENPP2
SCHEMBL30337200 0.81 FAAH (0.39) HTR1ATSHRENPP2

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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