SCHEMBL24945648

SCHEMBL24945648

CSc1cnc(N2CCN(C(C)(C)C)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ OGA O60502 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20225831 0.80 OGA (0.41) HTR3AHRH4OGAMAPTLMNA
SCHEMBL1505644 0.79 OGA (0.36) HTR3AHRH4OGAMAPTLMNA
SCHEMBL17404870 0.79 MEN1 (0.40) HTR3AHRH4OGALMNAMEN1
SCHEMBL530287 0.79 OGA (0.41) HTR3AHRH4OGAMAPTLMNA
SCHEMBL17037512 0.79 SIGMAR1 (0.43) OGAKDM4ESIGMAR1
SCHEMBL21025738 0.79 HTR3A (0.36) HTR3AHRH4OGAMAPTLMNA
SCHEMBL1505703 0.79 PANK3 (0.41) HTR3AHRH4OGAMAPTLMNA
SCHEMBL1505737 0.78 GPR119 (0.50) KIT
SCHEMBL24827960 0.76 OGA (0.40) HTR3AHRH4OGALMNANPC1
SCHEMBL19449799 0.76 OGA (0.45) HTR3AHRH4OGAMEN1KMT2A

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
WO-2023010078-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2023-02-02 — — WO disclosed
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