SCHEMBL10446687

SCHEMBL10446687

O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1)C1CCCc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 10/20 0.48
▸ DCUN1D1 Q96GG9 10/20 0.48
▸ PPARG P37231 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ AGER Q15109 2/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL10446628 0.94 UBE2M (0.49) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446682 0.87 PPARG (0.44) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10447066 0.87 PPARG (0.43) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446788 0.85 UBE2M (0.44) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446671 0.84 P2RX3 (0.49) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446762 0.83 UBE2M (0.52) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10447056 0.83 UBE2M (0.51) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL9260923 0.82 PPARG (0.59) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446652 0.82 P2RX3 (0.47) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446648 0.81 UBE2M (0.51) UBE2MDCUN1D1PPARGPPARDPPARA

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