SCHEMBL6215348

SCHEMBL6215348

COC1c2cccc(NC(=O)c3ccc(Cl)s3)c2C(=O)N1CCC1CCN(C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 11/20 0.34
ACKR3 P25106 2/20 0.33
PRSS12 P56730 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL4309511 0.89 ACHE (0.39) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL6216886 0.89 ACHE (0.35) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL4314756 0.84 KDM4E (0.40) ALDH1A1ACKR3KDM4E
SCHEMBL6216144 0.78 ACHE (0.39) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL6216650 0.76 ALDH1A1 (0.38) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL4304883 0.71 CHRM3 (0.42) ALDH1A1HPGDSMN1; SMN2F10
SCHEMBL4309831 0.68 ACHE (0.61) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL4302308 0.68 ACHE (0.56) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL4303895 0.68 F10 (0.56) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL13950124 0.67 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2F10ACKR3

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-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
EP-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 WO disclosed