SCHEMBL30337060

SCHEMBL30337060

O=C1C2CN(Cc3ccc(-c4ccccc4)cc3)CCN2C(=O)CN1Cc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ CLPP Q16740 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ ACHE P22303 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ MMP13 P45452 1/20 0.39

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
SCHEMBL30336976 0.95 KMT2A (0.55) KMT2ACLPPACHEPKMDRD4
SCHEMBL24145803 0.92 ENPP2 (0.48) ENPP2HTR1AFAAHCHKA
SCHEMBL30337246 0.90 ENPP2 (0.47) KMT2AENPP2DRD4HTR1ACHKA
SCHEMBL30337235 0.86 HTR1A (0.43) ENPP2HTR1A
SCHEMBL30337511 0.85 KMT2A (0.43) KMT2ACLPPACHEPKMHTR1A
SCHEMBL30337305 0.85 HTR1A (0.43) KMT2AACHEPKMHTR1ACHKA
SCHEMBL30337582 0.84 SMN1; SMN2 (0.45) KMT2AHTR1A
SCHEMBL30337129 0.84 KMT2A (0.46) KMT2ACLPPACHEPKMDRD4
SCHEMBL24145684 0.84 FAAH (0.39) ENPP2DRD4HTR1AFAAH
SCHEMBL30337200 0.84 FAAH (0.39) ENPP2DRD4HTR1AFAAH

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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