SCHEMBL6125250

SCHEMBL6125250

COc1ccc2nc(C(F)(F)F)cc(N3CCN(C)CC3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.72
▸ TSHR P16473 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CASP1 P29466 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ADRA2A P08913 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ AXL P30530 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ HTR6 P50406 1/20 0.54
▸ MKNK1 Q9BUB5 1/20 0.54
▸ MKNK2 Q9HBH9 1/20 0.54
▸ DNMT1 P26358 1/20 0.50
▸ RAD52 P43351 1/20 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
SCHEMBL14136366 0.90 ADRB2 (0.61) ADRB2TSHRKDM4EALDH1A1HPGD
SCHEMBL13135656 0.89 ADRB2 (0.70) ADRB2TSHRKDM4EALDH1A1HPGD
SCHEMBL2708405 0.87 ADRB2 (0.72) ADRB2TSHRKMT2AADRA2AHTR2C
SCHEMBL6125303 0.84 ADRB2 (1.00) ADRB2TSHRKDM4EALDH1A1HPGD
SCHEMBL14136364 0.84 ADRB2 (0.77) ADRB2TSHRKDM4EALDH1A1HPGD
SCHEMBL10268283 0.82 ADRB2 (0.75) ADRB2TSHRKDM4EALDH1A1HPGD
SCHEMBL13135657 0.82 ADRB2 (0.75) ADRB2TSHRKDM4EALDH1A1HPGD
SCHEMBL6125222 0.81 ADRB2 (0.72) ADRB2TSHRKDM4EALDH1A1HPGD
SCHEMBL14046596 0.81 ADRB2 (0.72) ADRB2TSHRKDM4EALDH1A1HPGD
SCHEMBL13135663 0.80 KDM4E (0.64) ADRB2TSHRKDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 — — EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 — — EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 — — EP disclosed
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