SCHEMBL10447090

SCHEMBL10447090

Cc1cc(C)c(CN(C(=O)Nc2ccc(F)cc2F)C2Cc3ccccc3C2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ UBE2M P61081 2/20 0.43
▸ DCUN1D1 Q96GG9 2/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RECQL P46063 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
SCHEMBL10447008 0.88 UBE2M (0.46) HTTUBE2MDCUN1D1TAS1R3TAS1R1
SCHEMBL10446781 0.87 UBE2M (0.47) HTTUBE2MDCUN1D1TAS1R3TAS1R1
SCHEMBL10446779 0.87 PKM (0.46) HTTUBE2MDCUN1D1TAS1R3TAS1R1
SCHEMBL10446762 0.87 UBE2M (0.52) HTTUBE2MDCUN1D1TAS1R3TAS1R1
SCHEMBL10446648 0.85 UBE2M (0.51) HTTUBE2MDCUN1D1TAS1R3TAS1R1
SCHEMBL10446680 0.84 UBE2M (0.50) HTTUBE2MDCUN1D1PPARGPPARD
SCHEMBL10446676 0.83 HTT (0.43) HTTUBE2MDCUN1D1TAS1R3TAS1R1
SCHEMBL10447047 0.82 HTT (0.42) HTTUBE2MDCUN1D1TAS1R3TAS1R1
SCHEMBL10446783 0.81 RAB9A (0.44) HTTUBE2MDCUN1D1TAS1R3TAS1R1
SCHEMBL10447005 0.81 MEN1 (0.52) HTTUBE2MDCUN1D1TAS1R3TAS1R1

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-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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