SCHEMBL22754937

SCHEMBL22754937

Cc1c[nH]c(=O)c2c(C(=O)NC3CCN(Cc4ccccc4)C3)c[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ DRD4 P21917 14/20 0.53
▸ DRD2 P14416 9/20 0.53
▸ MC4R P32245 1/20 0.52
▸ SIGMAR1 Q99720 3/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ DRD3 P35462 3/20 0.50

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
SCHEMBL22755049 0.94 POLB (0.64) POLBDRD4SIGMAR1
SCHEMBL22755067 0.81 MDM4 (0.46) POLB
SCHEMBL22755258 0.77 LIPG (0.48) —
SCHEMBL22755022 0.77 LIPG (0.40) POLB
SCHEMBL13663256 0.76 POLB (0.65) POLBDRD4DRD2SIGMAR1MCHR1
SCHEMBL22755113 0.76 ADORA2A (0.48) —
SCHEMBL2900272 0.75 SIGMAR1 (0.86) POLBDRD4DRD2SIGMAR1MCHR1
SCHEMBL22754845 0.75 NPC1 (0.50) POLB
SCHEMBL22755092 0.75 BACE1 (0.41) —
SCHEMBL14205981 0.74 POLB (0.65) POLBDRD4DRD2SIGMAR1MCHR1

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
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed
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