SCHEMBL8055913

SCHEMBL8055913

COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.65
▸ CYP2C9 P11712 7/20 0.65
▸ ADRB1 P08588 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.57
▸ LMNA P02545 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP2C8 P10632 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ GUSB P08236 1/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ PKM P14618 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ APOBEC3A P31941 2/20 0.47
▸ APOBEC3G Q9HC16 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ PABPC1 P11940 1/20 0.47

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
SCHEMBL7939908 0.90 ELANE (0.63) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8050837 0.90 ELANE (0.79) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8056317 0.89 ELANE (0.65) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8220267 0.88 ELANE (0.80) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL14760555 0.88 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8344863 0.88 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8052101 0.87 ELANE (0.52) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL7903282 0.87 ELANE (0.63) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10013424 0.86 ELANE (0.61) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL7906666 0.86 ELANE (0.62) ELANECYP2C9ADRB1HTR1AHRH3

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-2009060206-A1 3,4,6,7-TETRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 — — WO disclosed
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