SCHEMBL4583142

SCHEMBL4583142

COC1CN(C(=O)c2cc3c(s2)CCN(C)C3)CC1NC(=O)Oc1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.44
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
SMO Q99835 5/20 0.34
MCHR1 Q99705 1/20 0.33
F2 P00734 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
WDR91 A4D1P6 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4584319 0.93 F10 (0.44) F10PRMT5WDR77ALDH1A1HPGD
SCHEMBL3307173 0.88 F10 (0.46) F10PRMT5WDR77HDAC6F2
SCHEMBL8489276 0.88 F10 (0.46) F10PRMT5WDR77HDAC6F2
SCHEMBL4433466 0.87 F10 (0.32) F10
SCHEMBL4435127 0.86 F10 (0.32) F10ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4432476 0.85 F10 (0.42) F10PRMT5WDR77HDAC6MCHR1
SCHEMBL4436378 0.84 ALDH1A1 (0.33) F10ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4583647 0.84 F10 (0.38) F10HDAC6MCHR1POLBMAPT
SCHEMBL3308325 0.83 F10 (0.43) F10ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13395099 0.83 F10 (0.43) F10ALDH1A1HPGDCYP1A2CYP2C19

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-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed